Information card for entry 2208910
Chemical name |
3α,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene |
Formula |
C26 H38 O6 |
Calculated formula |
C26 H38 O6 |
SMILES |
O=CO[C@@H]1C[C@@H]2C[C@H](OC=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1([C@H](C2)OC=O)C)[C@@H](C=C)C)C |
Title of publication |
3α,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene |
Authors of publication |
Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
5 |
Pages of publication |
o1856 - o1858 |
a |
10.8379 ± 0.0011 Å |
b |
8.3682 ± 0.0011 Å |
c |
13.621 ± 0.008 Å |
α |
90° |
β |
95.92 ± 0.03° |
γ |
90° |
Cell volume |
1228.8 ± 0.8 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0364 |
Weighted residual factors for significantly intense reflections |
0.0952 |
Weighted residual factors for all reflections included in the refinement |
0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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