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Information card for entry 2242946
Preview
| Coordinates | 2242946.cif |
|---|---|
| Structure factors | 2242946.hkl |
| Original IUCr paper | HTML |
| Common name | 1,3-diphenyl-6-(2,3,4,5,6-pentamethylphenyl)fulvene |
|---|---|
| Chemical name | {3-[(2,3,4,5,6-Pentamethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene |
| Formula | C29 H28 |
| Calculated formula | C29 H28 |
| SMILES | c1(ccccc1)C1=C/C(=C\c2c(c(c(c(c2C)C)C)C)C)C(=C1)c1ccccc1 |
| Title of publication | Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes |
| Authors of publication | Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 838 - 842 |
| a | 30.987 ± 0.007 Å |
| b | 5.8273 ± 0.0014 Å |
| c | 23.557 ± 0.006 Å |
| α | 90° |
| β | 96.192 ± 0.003° |
| γ | 90° |
| Cell volume | 4228.9 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215394 (current) | 2019-05-22 | cif/ hkl/ Adding structures of 2242943, 2242944, 2242945, 2242946 via cif-deposit CGI script. |
2242946.cif 2242946.hkl |
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Users of the data should acknowledge the original authors of the
structural data.