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Information card for entry 8102757
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| Coordinates | 8102757.cif |
|---|---|
| External links | PubChem |
| Formula | C24 H26 O S2 |
|---|---|
| Calculated formula | C24 H26 O S2 |
| Title of publication | Crystal structure of (4-(3,4-bis(2,5-dimethylthiophen-3-yl)cyclopent-3-en-1-yl)phenyl) methanol, C24H26OS2 |
| Authors of publication | Xiaochuan Li; Zhengzheng Guo; Young-A Son; Jiange Wang; Sheng Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 3 |
| Pages of publication | 495 |
| a | 12.4931 ± 0.001 Å |
| b | 40.201 ± 0.003 Å |
| c | 8.487 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4262 ± 4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1848 |
| Weighted residual factors for all reflections included in the refinement | 0.2081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102757.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102757.cif |
| 176728 | 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 8. |
8102757.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102757.cif |
| 13496 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102757 via cif-deposit CGI script. |
8102757.cif |
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Users of the data should acknowledge the original authors of the
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