Information card for entry 1553941
| Formula |
C23 H22 N2 O7 |
| Calculated formula |
C23 H22 N2 O7 |
| SMILES |
O1COc2cc(/C=C/3N4[C@H]5N(C3=O)[C@H](C(=O)OC)C[C@@]5(O)c3ccccc43)ccc12.OC |
| Title of publication |
Robustanoids A and B, two novel pyrrolo[2,3-b]indole alkaloids from Coffea canephora: isolation and total synthesis |
| Authors of publication |
Han, Jianxin; Niu, Sheng-Tong; Liu, Yushuang; Gan, Lishe; Wang, Tianfu; Lu, Chong-Dao; Yuan, Tao |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2018 |
| Journal volume |
5 |
| Journal issue |
4 |
| Pages of publication |
586 |
| a |
9.297 ± 0.007 Å |
| b |
11.515 ± 0.009 Å |
| c |
11.957 ± 0.009 Å |
| α |
61.974 ± 0.007° |
| β |
80.333 ± 0.011° |
| γ |
67.602 ± 0.01° |
| Cell volume |
1044.6 ± 1.4 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0863 |
| Residual factor for significantly intense reflections |
0.0699 |
| Weighted residual factors for significantly intense reflections |
0.1773 |
| Weighted residual factors for all reflections included in the refinement |
0.2 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1553941.html
