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Information card for entry 1551645
Preview
| Coordinates | 1551645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N O2 |
|---|---|
| Calculated formula | C27 H19 N O2 |
| SMILES | O=C1C(C(=O)c2c1cccc2)(c1ccccc1)c1ccc(Nc2ccccc2)cc1 |
| Title of publication | Crystal Structure of 2-(<i>p</i>-Anilinophenyl)-2-phenylindan-1,3-dione and Its Unexpected Formation |
| Authors of publication | AKITA, Motoko; KIMURA, Yuko; KOBAYASHI, Keiji |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2015 |
| Journal volume | 31 |
| Journal issue | 0 |
| Pages of publication | 13 |
| a | 9.837 ± 0.004 Å |
| b | 13.221 ± 0.003 Å |
| c | 16.325 ± 0.006 Å |
| α | 90° |
| β | 107.914 ± 0.015° |
| γ | 90° |
| Cell volume | 2020.2 ± 1.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216256 (current) | 2019-06-20 | cif/ Adding structures of 1551645 via cif-deposit CGI script. |
1551645.cif |
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