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Information card for entry 1508273
Preview
| Coordinates | 1508273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C27 H32 O8 |
|---|---|
| Calculated formula | C27 H32 O8 |
| SMILES | C1(=O)[C@@H]2C(=O)C([C@H]([C@H](C(=O)OC)O)[C@]1([C@@H]1C(=C3[C@@](CC1)([C@H](c1cocc1)OC(=O)C3)C)C2)C)(C)C |
| Title of publication | Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis. |
| Authors of publication | Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 7 |
| Pages of publication | 1277 - 1283 |
| a | 10.6167 ± 0.0002 Å |
| b | 10.7288 ± 0.0002 Å |
| c | 21.4811 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2446.79 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1508273.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. |
1508273.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. |
1508273.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508273.cif |
| 66261 | 2012-09-09 | cif/ Adding structures of 1508273 via cif-deposit CGI script. |
1508273.cif |
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Users of the data should acknowledge the original authors of the
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