scholarly journals Restrained least squares refinement of native (calcium) and cadmium-substituted carp parvalbumin using X-ray crystallographic data at 1.6-Å resolution

1989 ◽  
Vol 264 (28) ◽  
pp. 16620-16628
Author(s):  
A L Swain ◽  
R H Kretsinger ◽  
E L Amma
Keyword(s):  
Least Squares ◽  
Crystallographic Data ◽  
X Ray

The crystal structure of (S)-( - )-6-Bromo-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one [( - )-6-bromocryptostrobin] and a 13C N.M.R. study of (±)-cryptostrobin and related substances. Revision of the structures of the natural products (±)-lawinal, unonal, 7-O-methylunonal and isounonal

1982 ◽  
Vol 35 (9) ◽  
pp. 1851 ◽  
Author(s):  
LT Byrne ◽  
JR Cannon ◽  
DH Gawad ◽  
BS Joshi ◽  
BW Skelton ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Natural Products ◽  
Least Squares ◽  
Crystallographic Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Related Substances ◽  
Block Diagonal

The crystal structure of (S)-(-)-6-bromo-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one [(–)-6-bromocryptostrobin] (11) has been determined by X-ray diffraction from diffractometer data at 295 K and refined by block diagonal least squares to a residual of 0.050 (810 'observed' reflections). Crystals of (11) are tetragonal, P43212, a 7.849(4), c 46.83(2) �, Z 8. The crystallographic data are consistent with the S configuration previously proposed for (–)-cryptostrobin (10). The 13C n.m.r, spectra of (�)-cryptostrobin and(�)-strobopinin also lead to the structures (1) and (6), respectively. This work has enabled the structures proposed for the natural products (�)-lawinal, unonal, 7-O-methylunonal and isounonal to be revised to (8), (14), (15) and (12), respectively.

Improved Crystallographic Data for AlNbO4

1991 ◽  
Vol 6 (1) ◽  
pp. 48-49 ◽  
Author(s):  
C. J. Rawn ◽  
R. S. Roth ◽  
H. F. McMurdie
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystallographic Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe compound AlNbO4 has been studied by single crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a Δ2θ° of no more than 0.03°. A monoclinic cell was found with space group C2/m, a = 12.1558(5)Å, b = 3.7345(2)Å, c = 6.4886(3)Å, and β = 107.613(4)°.

scholarly journals Preliminary X-ray crystallographic data on mouse submaxillary gland renin and renin-inhibitor complexes.

1984 ◽  
Vol 259 (20) ◽  
pp. 12714-12717
Author(s):  
M A Navia ◽  
J P Springer ◽  
M Poe ◽  
J Boger ◽  
K Hoogsteen
Keyword(s):  
Submaxillary Gland ◽  
Crystallographic Data ◽  
Renin Inhibitor ◽  
X Ray ◽  
Mouse Submaxillary Gland

New X-ray crystallographic data on crystalline polymers of methyl sorbate

1985 ◽  
Vol 21 (1) ◽  
pp. 65-70 ◽  
Author(s):  
P. Corradini ◽  
R. Napolitano ◽  
V. Petraccone ◽  
B. Pirozzi ◽  
A. Tuzi
Keyword(s):  
Crystallographic Data ◽  
X Ray ◽  
Crystalline Polymers ◽  
Methyl Sorbate

Crystallographic study of ternary ordered skutterudite IrGe1.5Se1.5

2010 ◽  
Vol 25 (3) ◽  
pp. 247-252 ◽  
Author(s):  
F. Laufek ◽  
J. Návrátil
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Crystallographic Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Crystallographic Study ◽  
Related Phase ◽  
The Ideal

The crystal structure of skutterudite-related phase IrGe1.5Se1.5 has been refined by the Rietveld method from laboratory X-ray powder diffraction data. Refined crystallographic data for IrGe1.5Se1.5 are a=12.0890(2) Å, c=14.8796(3) Å, V=1883.23(6) Å3, space group R3 (No. 148), Z=24, and Dc=8.87 g/cm3. Its crystal structure can be derived from the ideal skutterudite structure (CoAs3), where Se and Ge atoms are ordered in layers perpendicular to the [111] direction of the original skutterudite cell. Weak distortions of the anion and cation sublattices were also observed.

The Design of Organic Gelators Based on a Family of Bis-Ureas

1999 ◽  
Vol 604 ◽  
Author(s):  
Rosa E. Meléndez ◽  
Andrew J. Carn ◽  
Kazuki Sada ◽  
Andrew D. Hamilton
Keyword(s):  
Thermodynamic Properties ◽  
Organic Solvents ◽  
Organic Molecules ◽  
Materials Science ◽  
Crystallographic Data ◽  
Porous Solids ◽  
X Ray ◽  
Molecule Structure ◽  
Structure Activity ◽  
Potential Applications

AbstractThe use of organic molecules as gelators in certain organic solvents has been the target of recent research in materials science. The types of structures formed in the gel matrix have potential applications as porous solids that can be used as absorbents or in catalysis. We will present and discuss the organogelation properties of a family of bis-ureas. Studies presented will include a molecule structure activity relationship, thermodynamic properties, comparison to x-ray crystallographic data and potential functionalization of the gels formed by this class of compounds

The crystal structures of solvent-free alkali-metal squarates from powder diffraction data

2005 ◽  
Vol 220 (11) ◽  
Author(s):  
Robert E. Dinnebier ◽  
Hanne Nuss ◽  
Martin Jansen
Keyword(s):  
High Resolution ◽  
Alkali Metal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Solvent Free ◽  
Crystallographic Data ◽  
Powder Diffraction Data ◽  
X Ray

AbstractThe crystal structures of solvent-free lithium, sodium, rubidium, and cesium squarates have been determined from high resolution synchrotron and X-ray laboratory powder patterns. Crystallographic data at room temperature of Li

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