Information card for entry 2205982
Chemical name |
(6R,7aS)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1- diphenylpyrrolo[1,2-c][1,3]oxazol-6-ol |
Formula |
C24 H23 N O3 |
Calculated formula |
C24 H23 N O3 |
SMILES |
O1[C@@H](N2[C@H](C1(c1ccccc1)c1ccccc1)C[C@@H](O)C2)c1ccccc1O |
Title of publication |
(6<i>R</i>,7a<i>S</i>)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1-diphenylpyrrolo[1,2-<i>c</i>][1,3]oxazol-6-ol |
Authors of publication |
Zongxuan Shen; Ding Yi; Yawen Zhang; De-Chun Zhang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
6 |
Pages of publication |
o1715 - o1717 |
a |
6.0329 ± 0.0005 Å |
b |
9.4215 ± 0.001 Å |
c |
33.796 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1920.9 ± 0.3 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0444 |
Residual factor for significantly intense reflections |
0.0413 |
Weighted residual factors for significantly intense reflections |
0.0909 |
Weighted residual factors for all reflections included in the refinement |
0.0924 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.15 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2205982.html