Information card for entry 2228458
Chemical name |
(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)- 20,24-Epoxydammarane-3,6,12,25-tetraol dihydrate |
Formula |
C30 H56 O7 |
Calculated formula |
C30 H56 O7 |
SMILES |
CC1(C)[C@@H](CC[C@@]2([C@@H]1[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)C)O.O.O |
Title of publication |
(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)-20,24-Epoxydammarane-3,6,12,25-tetraol dihydrate |
Authors of publication |
Meng, Qing-Guo; Liu, Lian-Dong; Guo, Huan-Mei; Bi, Yi; Wang, Liang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3210 |
a |
11.4575 ± 0.0015 Å |
b |
15.457 ± 0.002 Å |
c |
16.726 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2962.2 ± 0.7 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 |
0.0469 |
Residual factor for significantly intense reflections |
0.0415 |
Weighted residual factors for significantly intense reflections |
0.1035 |
Weighted residual factors for all reflections included in the refinement |
0.108 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
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/2228458.html