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Information card for entry 1503258
Preview
| Coordinates | 1503258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H28 O5 |
|---|---|
| Calculated formula | C21 H28 O5 |
| SMILES | O[C@@H]1CCC[C@]23O[C@]4(CC2)C(=CC[C@]2([C@H]4CCC42OCCO4)C)C(=O)[C@@H]13.O[C@H]1CCC[C@@]23O[C@@]4(CC2)C(=CC[C@@]2([C@@H]4CCC42OCCO4)C)C(=O)[C@H]13 |
| Title of publication | Concise synthesis of the oxapentacyclic core of cortistatin A. |
| Authors of publication | Yu, Fangmiao; Li, Guozhi; Gao, Peng; Gong, Hongju; Liu, Yinghua; Wu, Yongming; Cheng, Bin; Zhai, Hongbin |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 22 |
| Pages of publication | 5135 - 5137 |
| a | 7.3454 ± 0.0009 Å |
| b | 10.6476 ± 0.0013 Å |
| c | 12.4508 ± 0.0016 Å |
| α | 94.782 ± 0.002° |
| β | 107.021 ± 0.002° |
| γ | 102.586 ± 0.002° |
| Cell volume | 897.39 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1515 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 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. |
1503258.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. |
1503258.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503258.cif |
| 37135 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503258 via cif-deposit CGI script. |
1503258.cif |
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