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Information card for entry 1504216
Preview
| Coordinates | 1504216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | PK-IV-261 |
|---|---|
| Formula | C21 H24 O6 |
| Calculated formula | C21 H24 O6 |
| SMILES | C1(=O)[C@@]([C@H]2C[C@@H]3C(=O)OC[C@@]4(C(=O)C=CC(C4)(C)C)[C@@]13C=C2)(C)OC(=O)C.C1(=O)[C@]([C@@H]2C[C@H]3C(=O)OC[C@]4(C(=O)C=CC(C4)(C)C)[C@]13C=C2)(C)OC(=O)C |
| Title of publication | A synthesis of the carbon skeleton of maoecrystal V. |
| Authors of publication | Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 4774 - 4776 |
| a | 7.1446 ± 0.0002 Å |
| b | 10.9191 ± 0.0003 Å |
| c | 23.7565 ± 0.0007 Å |
| α | 90° |
| β | 91.941 ± 0.002° |
| γ | 90° |
| Cell volume | 1852.24 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 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. |
1504216.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1504216.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. |
1504216.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504216.cif |
| 39507 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504216 via cif-deposit CGI script. |
1504216.cif |
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Users of the data should acknowledge the original authors of the
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