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Information card for entry 2007058
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| Coordinates | 2007058.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | rotundifoline |
|---|---|
| Chemical name | E-Seco 9(hydroxy)20-Hβ 19-ethyl rhynchophylline |
| Formula | C22 H28 N2 O5 |
| Calculated formula | C22 H28 N2 O5 |
| SMILES | CO/C=C(\[C@@H]1C[C@H]2N(C[C@H]1CC)CC[C@@]12C(=O)Nc2c1c(O)ccc2)C(=O)OC |
| Title of publication | Rotundifoline, an Oxoindole Alkaloid |
| Authors of publication | Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 399 - 401 |
| a | 8.313 ± 0.001 Å |
| b | 13.367 ± 0.001 Å |
| c | 18.981 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2109.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1818 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.2448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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