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Information card for entry 1502217
Preview
| Coordinates | 1502217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H32 O2 Si |
|---|---|
| Calculated formula | C18 H32 O2 Si |
| SMILES | [Si](C)(C)(C(C)(C)C)O[C@H]1C=C2[C@]([C@@H]3[C@H]([C@@]2(CC1)C)C3)(C)O.[Si](C)(C)(C(C)(C)C)O[C@@H]1C=C2[C@@]([C@H]3[C@@H]([C@]2(CC1)C)C3)(C)O |
| Title of publication | A concise construction of the chlorahololide heptacyclic core. |
| Authors of publication | Lu, Yin-Suo; Peng, Xiao-Shui |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 2940 - 2943 |
| a | 21.881 ± 0.003 Å |
| b | 21.881 ± 0.003 Å |
| c | 21.626 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8967 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1242 |
| Residual factor for significantly intense reflections | 0.0902 |
| Weighted residual factors for significantly intense reflections | 0.2521 |
| Weighted residual factors for all reflections included in the refinement | 0.2916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
1502217.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. |
1502217.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502217.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502217.cif |
| 35526 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502217 via cif-deposit CGI script. |
1502217.cif |
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