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Information card for entry 1507382
Preview
| Coordinates | 1507382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C16 H23 N O4 |
|---|---|
| Calculated formula | C16 H23 N O4 |
| SMILES | ON1[C@H]2O[C@@]3(CC2)C(=O)C[C@@H]2C[C@H](CC(=O)[C@]32CCC1)C |
| Title of publication | Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii, inhibiting acetylcholinesterase. |
| Authors of publication | Hirasawa, Yusuke; Morita, Hiroshi; Shiro, Motoo; Kobayashi, Jun'ichi |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3991 - 3993 |
| a | 7.8245 ± 0.0007 Å |
| b | 10.4867 ± 0.0009 Å |
| c | 17.601 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1444.2 ± 0.2 Å3 |
| Cell temperature | 93.2 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 significantly intense reflections | 0.0316 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507382.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507382.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1507382.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507382.cif |
| 53876 | 2012-04-20 | cif/ Adding structures of 1507382 via cif-deposit CGI script. |
1507382.cif |
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Users of the data should acknowledge the original authors of the
structural data.