Crystal structure of panduratin A: (1'RS,2'SR,6'RS)-(2,6-Dihydroxy-4-methoxyphenyl)[3''-methyl-2'-(3'-methylbut-2'-enyl)-6'-phenylcyclohex-3'-enyl]methanone

1984 ◽  
Vol 37 (12) ◽  
pp. 2589 ◽  
Author(s):  
O Pancharoen ◽  
V Reutrakul ◽  
BW Skelton ◽  
WC Taylor ◽  
P Tuntiwachwuttikul ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray ◽  
Panduratin A

Single-crystal X-ray structure determination of the title compound, C26H30O4, confirms the stoichiometry, connectivity and stereochemistry recently assigned spectroscopically. Crystals are monoclinic, P21/n, a 10.140(5), b 24.85(1), c 9.4134) � β 90.69(4)�,Z 4; the structure was refined to a residual of 0.055 for 1701 'observed' independent reflections.

Synthesis and Single Crystal Structure Determination of Bis(carbido)bis(μ-diphenylphosphido)heptadecacarbonyloctaruthenium-Dichloromethane (1/1), Ru8(μ6-C)(μ5-C)(μ-PPh2)2(CO)17.CH2Cl2

1993 ◽  
Vol 46 (11) ◽  
pp. 1811 ◽  
Author(s):  
CJ Adams ◽  
MI Bruce ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
Room Temperature ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Triangular Face ◽  
X Ray

The synthesis and room-temperature single-crystal X-ray structure determination of the title compound are recorded. Crystals are monoclinic, P 21/c, a 14.43(2), b 18.39(1), c 23.64(3) Ǻ, β 123.16(7)°, Z = 4, isostructural with the recently described Fe3Ru5 analogue; R was 0.048 for 6892 'observed' data [I > 3σ(I)]. The cluster is one of the few containing separated carbide ligands within a polyhedral metal skeleton, consisting of an Ru5C square pyramid and an Ru6C octahedron sharing a triangular face, with two PPh2 groups bridging opposite Ru-Ru vectors in each polyhedron.

Kristallzucht und Strukturaufklärung von K2[Pt(CN)4Cl2], K2[Pt(CN)4Br2], K2[Pt(CN)4I2] und K2[Pt(CN)4Cl2] · 2H2O/ Crystal Growth and Crystal Structure Determination of K2[Pt(CN)4Cl2], K2[Pt(CN)4Br2], K2[Pt(CN)4I2] and K2[Pt(CN)4]Cl2] · 2H2O

2004 ◽  
Vol 59 (5) ◽  
pp. 567-572 ◽  
Author(s):  
Claus Mühle ◽  
Andrey Karpov ◽  
Jürgen Nuss ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Infrared Spectroscopy ◽  
Crystal Growth ◽  
Single Crystal ◽  
Structure Determination ◽  
Spectroscopy Data ◽  
Crystal Data ◽  
X Ray ◽  
Raman And Infrared Spectroscopy

Abstract Crystals of K2Pt(CN)4Br2, K2Pt(CN)4I2 and K2Pt(CN)4Cl2 ·2H2O were grown, and their crystal structures have been determined from single crystal data. The structure of K2Pt(CN)4Cl2 has been determined and refined from X-ray powder data. All compounds crystallize monoclinicly (P21/c; Z = 2), and K2Pt(CN)4X2 with X = Cl, Br, I are isostructural. K2Pt(CN)4Cl2: a = 708.48(2); b = 903.28(3); c = 853.13(3) pm; β = 106.370(2)°; Rp = 0.064 (N(hkl) = 423). K2Pt(CN)4Br2: a = 716.0(1); b = 899.1(1); c = 867.9(1) pm; β = 106.85(1)°; R(F)N′ = 0.026 (N’(hkl) = 3757). K2Pt(CN)4I2: a = 724.8(1); b = 914.5(1); c = 892.1(1) pm; β = 107.56(1)°; R(F)N′ = 0.025 (N’(hkl) = 2197). K2Pt(CN)4Cl2 ·2H2O: a = 763.76(4); b = 1143.05(6); c = 789.06(4) pm; β = 105.18(1)°; R(F)N′ = 0.021 (N’(hkl) = 2281). Raman and infrared spectroscopy data are reported.

Crystal structure of (Z)-Cembr-4-ene-15,19,20-triol

1977 ◽  
Vol 30 (12) ◽  
pp. 2723 ◽  
Author(s):  
EN Maslen ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Relative Configuration ◽  
Macrocyclic Ring ◽  
X Ray

The crystal structure of the title compound, CZOH3803 [compound (1) in ref.'], has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.045 for 954 'observed' reflections. Crystals are monoclinic, P2', a 9.281(2), b 17.798(6), c 6.417(1) A, B 93.81(3)", Z 2. The structure determination establishes the relative configuration of the chiral centres within the 14-membered macrocyclic ring and shows the double bond to have the unusual (Z) configuration.

Crystal structure determination of Ag2Ga by single crystal X-ray diffraction

1998 ◽  
Vol 213 (12) ◽  
Author(s):  
A. E. Gunnæs ◽  
A. Olsen ◽  
P. T. Zagierski ◽  
B. Klewe ◽  
O. B. Karlsen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe crystal structure of

Crystal Structure of N,N,N′,N′-Tetrakis-(trimethylsilyl)ethane-1,2-diamine

1985 ◽  
Vol 38 (11) ◽  
pp. 1729 ◽  
Author(s):  
LM Engelhardt ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
Full Matrix ◽  
X Ray ◽  
Methylene Groups

The title compound, [{(Me3Si)2NCH2}2], has been structurally characterized by a single-crystal X-ray structure determination at 130 K, being refined by full-matrix least-squares to a residual of 0.057 for 1244 'observed' reflections. Crystals are monoclinic, C2/c, a 21.00(2), b 9.089(8), c 11.744(9) Ǻ, β 92.31(7)°, Z 4. Molecules lie on inversion centres, but with some disorder of the methylene groups. Si -N are 1.735 Ǻ, and N-CH2 1.53(1) for the major fragment (70%). The nitrogen in the major fragment is approximately trigonal planar; Si -N- Si 124.6(3)°, Si -N-C 117.5(4), 115.5(4)°.

Approaches to the total synthesis of triterpenes. VIII. The ABC + D/E approach. Synthesis and X-ray structure determination of 1β,4a β-dimethyl-7-methoxy-1α- (7′,7′-ethyleneketal-6′,6′-dimethyl-3′-ketooctyl)-3,4,4a,9,10,10aα-hexahydro- 2(l-H)phenanthrone

1982 ◽  
Vol 60 (4) ◽  
pp. 509-513 ◽  
Author(s):  
John W. ApSimon ◽  
Rick P. Sequin ◽  
Carol P. Huber
Keyword(s):  
Total Synthesis ◽  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
Trimethylsilyl Ether ◽  
Synthetic Route ◽  
X Ray ◽  
Pentacyclic Triterpenes ◽  
Ongoing Work

The title compound was made following a projected synthetic route to pentacyclic triterpenes. The key step in the route is the alkylative trapping of the enolate derived from the enol trimethylsilyl ether 8. The stereochemical consequence of this reaction is confirmed by a single crystal X-ray structure determination on 4, which although of no further utility in the projected synthesis, nevertheless served as a useful template for this determination. In this way, ongoing work in a parallel series of compounds rests on a firm stereochemical footing.

Crystal structure of Tris(ethane-1,2-diamine)nickel(II) diperchlorate monohydrate

1978 ◽  
Vol 31 (2) ◽  
pp. 415 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
AC Willis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Structure Determination ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Very High

The crystal structure of the title compound, [Ni(en)3] (ClO4)2,H2O, has been determined from single-crystal X-ray diffraction data at 295(1) K and refined by least squares to a residual of 0.093 for 1400 'observed' reflections. Crystals are orthorhombic, P bca, a 17.043(7), b 15.922(6), c 13.496(5) Ǻ, Z 8. The precision of the structure determination is adversely affected by very high perchlorate thermal motion. <Ni-N> is 2.13 Ǻ.

Synthesis and X-ray crystal structure determination of 3,4-diphenyl-6-(diphenylmethyl)-1,5-dioxa-2-thiane-2-oxide

1991 ◽  
Vol 69 (2) ◽  
pp. 185-188 ◽  
Author(s):  
L. Breau ◽  
N. K. Sharma ◽  
I. R. Butler ◽  
T Durst
Keyword(s):  
Crystal Structure ◽  
Key Words ◽  
Structure Determination ◽  
Title Compound ◽  
Heterocyclic Ring ◽  
Ring System ◽  
Sulfuryl Chloride ◽  
Similar Treatment ◽  
X Ray

Erythro and threo-1,2-diphenyl-2-tert-butylsulfinylethanols 5 and 8 were prepared from the condensation of the α-lithio derivative of benzyl-tert-butyl sulfoxide with benzaldehyde. Reaction of 5 with sulfuryl chloride gave the title compound, (2R*,3S*,4R*,6R*)-3,4-diphenyl-6-(diphenylmethyl)-1,5-dioxa-2-thiane-2-oxide 6, the first representative of a new heterocyclic ring system. Similar treatment of 8 resulted in the formation of 7, a stereoisomer of 6. This same compound was also obtained by photolysis of 6. In both 6 and 7 the S=O bond is in an axial orientation. Key words: sulfuryl chloride, reaction with β-hydroxy sulfoxides; 1,2-diphenyl-tert-butylsulfinylethanol; β-hydroxysulfoxides; β-sultines; N-chlorosuccinimide, reaction with β-hydroxysulfoxides.

The Last Missing Member of the AE2[BN2]Cl Series – Synthesis, Structural and Spectroscopic Characterization of Ba2[BN2]Cl

2008 ◽  
Vol 63 (5) ◽  
pp. 525-529 ◽  
Author(s):  
Olaf Reckeweg ◽  
Jesse Reiherzer ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
X Ray ◽  
Fundamental Frequencies ◽  
Raman And Ir Spectra

Pale grey-blue, transparent single crystals of Ba2[BN2]Cl (I4132 (no. 214), a = 1462.88(1) pm, Z = 24) are obtained by the reaction of Ba, BaCl2, BN and NaN3 in arc-welded Ta ampoules at 1200 K. The crystal structure was determined by single crystal X-ray structure analysis. The Raman and IR spectra of the title compound show the expected fundamental frequencies (νs = 1038; νas = 1969 and 2087; δ = 616 / 636 cm−1) for a nitridoborate unit with D∞h symmetry. The [N-B-N] structure obtained by X-ray single crystal structure determination corroborates this finding within the standard deviations of the measurement with d(B-N) = 132.3(8) pm and ∡ (N-B-N) = 178.5(13)°. Our results compare well to the data reported for cubic and orthorhombic Ba3[BN2]2 as well as to the isotypic compound Ba2[BN2]Br.

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