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Information card for entry 1513366
Preview
| Coordinates | 1513366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H46 Cl2 N4 O6 |
|---|---|
| Calculated formula | C39 H46 Cl2 N4 O6 |
| SMILES | C(Cl)Cl.C1(=O)CC[C@]2(CCCN3C(=O)C=C(c4ccccc4N)[C@]23O1)CC |
| Title of publication | Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F. |
| Authors of publication | Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok |
| Journal of publication | Journal of natural products |
| Year of publication | 2014 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 327 - 338 |
| a | 8.0086 ± 0.0001 Å |
| b | 14.9302 ± 0.0003 Å |
| c | 15.3044 ± 0.0003 Å |
| α | 90° |
| β | 94.648 ± 0.001° |
| γ | 90° |
| Cell volume | 1823.93 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1513366.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513366.cif |
| 104241 | 2014-03-10 | cif/ Adding structures of 1513366 via cif-deposit CGI script. |
1513366.cif |
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Users of the data should acknowledge the original authors of the
structural data.