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Information card for entry 7220669
Preview
| Coordinates | 7220669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,7-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-3,6-dimethoxycarbazole |
|---|---|
| Formula | C101 H102 N2 O5 |
| Calculated formula | C101 H102 N2 O5 |
| Title of publication | Structure–property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles |
| Authors of publication | Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 61 |
| Pages of publication | 49577 |
| a | 20.8163 ± 0.0005 Å |
| b | 7.6277 ± 0.0002 Å |
| c | 26.4292 ± 0.0005 Å |
| α | 90° |
| β | 91.0202 ± 0.0015° |
| γ | 90° |
| Cell volume | 4195.78 ± 0.17 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1674 |
| Residual factor for significantly intense reflections | 0.0918 |
| Weighted residual factors for significantly intense reflections | 0.2235 |
| Weighted residual factors for all reflections included in the refinement | 0.2709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220669.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220669.cif |
| 137891 | 2015-06-04 | cif/ Adding structures of 7220668, 7220669 via cif-deposit CGI script. |
7220669.cif |
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Users of the data should acknowledge the original authors of the
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