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Now showing items 21-30 of 35
Article
X-ray Structure of a (o-ga/acto-Pentaacetoxypentyl)pyrazoline
(International Union of Crystallography, 1989)
1-(3,5-Dimethyl-3-nitro-1-pyrazolin-4-yl) penta-0-acetyl-o-galacto-pentitol, e20H29N 3012, Mr= 503·5, orthorhombic, P21212¡, a= 14·471 (9), b = 14·518 (3), e= 12·028 (2) A, V= 2527·0 (1·7) A3, z = 4, Dx = 1·323 ...
Article
Lattice-Energy Calculations on Organometallic Compounds
(International Union of Crystallography, 1988)
Lattice-energy calculations in the atom-atom approach have been performed for five organometallic com pounds of previously determined crystal structure. Minimization of energy in terms of positional, orienta tional, ...
Article
Structure and Molecular Conformation of l-(4-Acetyl-5-methyl-2-furyl)- 1,3-dideoxy-3-nitro-fl-D-xylopyranose
(International Union of Crystallography, 1980)
The crystal structure of C I2HIsNO7 has been determined at room temperature. Crystals are tetragonal, space group P432~2, Z = 8, with a -- 12.039 (1), c = 17.979 (4)A. 1304 observed reflexions contributed to the ...
Article
The Structure of l-Phenyl-4,5-(l,2-D-glucofurano)imidazolidin-2-one
(International Union of Crystallography, 1980)
The crystal structure of Cl3Ht6N20 5 has been solved by direct methods. Crystal data are a -- 9.033 (1), b -- 10.097 (1), c -- 7.155 (1)A, fl= 105.92 (1) °, Z -- 2, space group P21 (from statistics). The final R value ...
Article
Structure of 4-(~-D-Erythrofuranosyl)-3-methyl- l-(p-tolyl)-4-imidazoline-2-thione Monohydrate, C 15H18N203S.H20
(International Union of Crystallography, 1983)
Mr=324.4, orthorhombic, P212t2 ~, a= 32.150(5), b=10.215(1), c=4.805(1)A, V= 1578.0 (4)/~3, Z = 4, D x = 1.36 Mg m -a, 2(Cu Ka) = 1.5418A, #=1.953mm -1, T=300K, final R= 0.050 for 1361 observed [I>2tr(I)] independent ...
Article
Structure of l'-(p-Bromophenyl)-3'-ethyl- 1',3t,4',5 t -tetrahydro- 1,2-¢~• deoxy-D-glyeero-Dgu/ a-heptofuranoso[ 1,2-d]imidazole-2'-thione,* C16H21BrN2OsS
(International Union of Crystallography, 1984)
M r = 433.3, monoclinic, P21, a = 6.924 (3), b=8.661 (1), c=15.039(3)A, #=96.92(3) ° , v= 895.3 (4) A a, Z= 2, D, = 1.598 (5), Dx= 1.607 Mg m -a, Mo Ka, 2 = 0.7107/k, # = 2.42 mm -1, F(000) = 444, T = 300 K, R = 0.039 ...
Article
First- and Second-Order Thermal Diffuse Scattering (TDS) Intensity in Molecular Crystals: Influence on Crystal Structure Parameters
(International Union of Crystallography, 1985)
First- and second-order thermal diffuse scattering (TDS) intensities are calculated in the long-wave approximation allowing for dispersion (LWD) in monoclinic phenothiazine from polarization vectors and lattice-mode ...
Article
Lattice Dynamical Calculation of First-Order Thermal Diffuse Scattering in Phenothiazine
(International Union of Crystallography, 1985)
A computer program has been developed to calculate first-order thermal diffuse scattering (TDS) intensity from eigenvectors and eigenvalues of the dynamical matrix obtained within the harmonic approximation with an ...
Article
Structure of l'-(p-Bromophenyl)-3'-ethyl- 1',3', 4',5'-tetrahydro- 1,2-dideoxy-D-glycero- L-gluco-heptofuranoso[ 1,2-d]imidazole-2'-thione,* C16H21BrN205 S
(International Union of Crystallography, 1983)
M,=433.3, orthorhombic, P2,2~2,, a= 8.466 (2), b .... 27. 136 (5), c - 7.776 (5) A, V = 1786(1)A3, Z=4, D,,,= 1.60(l),Dx= 1.61Mgm -3, Mo Ka, 2 = 0.7107 A, a = 2.42 mm-', F(000) = 888, 300 K, R =0.045 for 1 196 observed ...
Article
Lattice-Dynamical Calculation of Second-Order Thermal Diffuse Scattering in Molecular Crystals
(International Union of Crystallography, 1985)
A computer procedure has been developed to calculate second-order thermal diffuse scattering (TDS) intensity for molecular crystals from latticedynamical calculations with an atom-atom potential in the Born-von K~irmfin ...