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Information card for entry 1517977
Preview
| Coordinates | 1517977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H31 N O5 S |
|---|---|
| Calculated formula | C23 H31 N O5 S |
| SMILES | S(=O)(=O)(N1C[C@H]2C[C@]34[C@H](O)C[C@H](C)C[C@H]3CC(=O)[C@@H]4[C@@]2(O)CC1)c1ccc(C)cc1 |
| Title of publication | Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof. |
| Authors of publication | Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 5612 - 5615 |
| a | 7.3932 ± 0.0007 Å |
| b | 10.0902 ± 0.0009 Å |
| c | 28.435 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2121.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
1517977.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. |
1517977.cif |
| 127266 | 2014-11-12 | cif/ Updating files of 1517976, 1517977, 1517978 Original log message: Adding full bibliography for 1517976--1517978.cif. |
1517977.cif |
| 125255 | 2014-10-10 | cif/ Adding structures of 1517977 via cif-deposit CGI script. |
1517977.cif |
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Users of the data should acknowledge the original authors of the
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