Information card for entry 2229745
Chemical name |
(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane- 3,6,12,25-tetraol |
Formula |
C30 H52 O5 |
Calculated formula |
C30 H52 O5 |
SMILES |
[C@@H]1(CC[C@@]2(C)[C@H](C1(C)C)[C@H](C[C@]1(C)[C@@H]2C[C@H]([C@H]2[C@@]1(C)CC[C@@H]2[C@]1(C)CC[C@H](C(C)(C)O)O1)O)O)O |
Title of publication |
(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,6,12,25-tetraol |
Authors of publication |
Zhang, Lei; Guo, Huan-Mei; Li, Wen-Juan; Gao, Yi-Jun; Meng, Qing-Guo |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
4 |
Pages of publication |
o846 |
a |
12.7918 ± 0.0006 Å |
b |
13.7842 ± 0.0007 Å |
c |
16.0902 ± 0.0008 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2837.1 ± 0.2 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0443 |
Residual factor for significantly intense reflections |
0.0416 |
Weighted residual factors for significantly intense reflections |
0.1107 |
Weighted residual factors for all reflections included in the refinement |
0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2229745.html