Information card for entry 2228131
Chemical name |
methyl <i>rel</i>-(3<i>R</i>,6<i>R</i>,10a<i>S</i>,11<i>S</i>,12a<i>S</i>)- 5-acetoxy-5a-acetoxymethyl-12b-hydroxy-3-methyl- 2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-4<i>H</i>-1,6- methanocyclopenta[1,8]azuleno[4,3-<i>a-g</i>]indole-11-carboxylate |
Formula |
C27 H37 N O7 |
Calculated formula |
C27 H37 N O7 |
SMILES |
O[C@]12N3C[C@H]([C@H]1C[C@@H](OC(=O)C)[C@]1([C@H](CCC4=C5[C@H](CC4)[C@@H](C[C@]215)C(=O)OC)C3)COC(=O)C)C |
Title of publication |
Yuzurimine from of <i>Daphniphyllum macropodum</i> Miq. |
Authors of publication |
Cheng, Ying; He, Xing-Jin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
11 |
Pages of publication |
o3013 |
a |
9.598 ± 0.0003 Å |
b |
9.7437 ± 0.0002 Å |
c |
26.0986 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2440.74 ± 0.11 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 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 |
0.0565 |
Residual factor for significantly intense reflections |
0.0443 |
Weighted residual factors for significantly intense reflections |
0.1144 |
Weighted residual factors for all reflections included in the refinement |
0.12 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
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/2228131.html