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Information card for entry 7242320
Preview
| Coordinates | 7242320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,5-bis(4-((2,7-dioctyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene |
|---|---|
| Formula | C76 H92 S |
| Calculated formula | C76 H92 S |
| Title of publication | Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization |
| Authors of publication | Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 2654 - 2664 |
| a | 5.5891 ± 0.0011 Å |
| b | 56.499 ± 0.012 Å |
| c | 19.86 ± 0.004 Å |
| α | 90° |
| β | 91.756 ± 0.005° |
| γ | 90° |
| Cell volume | 6268 ± 2 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1536 |
| Residual factor for significantly intense reflections | 0.1155 |
| Weighted residual factors for significantly intense reflections | 0.3063 |
| Weighted residual factors for all reflections included in the refinement | 0.3391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242320.cif |
| 265975 | 2021-06-05 | cif/ Updating files of 7242319, 7242320, 7242321, 7242322 Original log message: Adding full bibliography for 7242319--7242322.cif. |
7242320.cif |
| 262208 | 2021-02-25 | cif/ Adding structures of 7242319, 7242320, 7242321, 7242322 via cif-deposit CGI script. |
7242320.cif |
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Users of the data should acknowledge the original authors of the
structural data.