Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242943
Preview
| Coordinates | 2242943.cif |
|---|---|
| Structure factors | 2242943.hkl |
| Original IUCr paper | HTML |
| Common name | 1,3-diphenyl-6-(3-methylphenyl)fulvene |
|---|---|
| Chemical name | {3-[(3-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene |
| Formula | C25 H20 |
| Calculated formula | C25 H20 |
| SMILES | C1(=CC(=C/C1=C\c1cc(ccc1)C)c1ccccc1)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 | 29.23 ± 0.017 Å |
| b | 5.8 ± 0.003 Å |
| c | 22.071 ± 0.012 Å |
| α | 90° |
| β | 107.248 ± 0.017° |
| γ | 90° |
| Cell volume | 3574 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
2242943.cif 2242943.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.