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Information card for entry 2102055
Preview
| Coordinates | 2102055.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H10 O |
|---|---|
| Calculated formula | C13 H10 O |
| SMILES | O=C(c1ccccc1)c1ccccc1 |
| Title of publication | Metastable β-phase of benzophenone: independent structure determinations via X-ray powder diffraction and single crystal studies |
| Authors of publication | Kutzke, Hartmut; Klapper, Helmut; Hammond, Robert B.; Roberts, Kevin J. |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 3 |
| Pages of publication | 486 - 496 |
| a | 16.2219 ± 0.0011 Å |
| b | 8.1468 ± 0.0003 Å |
| c | 16.334 ± 0.0007 Å |
| α | 90° |
| β | 112.911 ± 0.005° |
| γ | 90° |
| Cell volume | 1988.35 ± 0.19 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Goodness-of-fit parameter for all reflections | 2.94 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.