Information card for entry 2014068
Chemical name
(3aS,7aS)-1-{2-Oxo-1,3-bis[(S)-1-phenylethyl]perhydro-1,3,2λ^5^- benzodiazaphosphol-2-yl]-1-phenylmethanol:
Formula
C29 H35 N2 O2 P
Calculated formula
C29 H35 N2 O2 P
Title of publication
(3a<i>S</i>,7a<i>S</i>)-1-{2-Oxo-1,3-bis[(<i>S</i>)-1-phenylethyl]perhydro-1,3,2λ^5^-benzodiazaphosphol-2-yl}-1-phenylmethanol: a mixture of diastereoisomers in a disordered crystal
Authors of publication
Moreno, Gloria E.; Quintero, Leticia; Bernès, Sylvain; Anaya de Parrodi, Cecilia
Journal of publication
Acta Crystallographica Section C
Year of publication
2004
Journal volume
60
Journal issue
6
Pages of publication
o411 - o414
a
9.6413 ± 0.0011 Å
b
17.3888 ± 0.0011 Å
c
15.8778 ± 0.0011 Å
α
90°
β
95.373 ± 0.008°
γ
90°
Cell volume
2650.2 ± 0.4 Å3
Cell temperature
300 ± 1 K
Ambient diffraction temperature
300 ± 1 K
Number of distinct elements
5
Space group number
4
Hermann-Mauguin space group symbol
P 1 21 1
Hall space group symbol
P 2yb
Residual factor for all reflections
0.0702
Residual factor for significantly intense reflections
0.0466
Weighted residual factors for significantly intense reflections
0.1182
Weighted residual factors for all reflections included in the refinement
0.1293
Goodness-of-fit parameter for all reflections included in the refinement
1.028
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
Yes
Has Fobs
Yes
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