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Information card for entry 2206971
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| Coordinates | 2206971.cif |
|---|---|
| Structure factors | 2206971.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-(3-Acetamidobenzylidene)anthrone |
|---|---|
| Formula | C23 H17 N O2 |
| Calculated formula | C23 H17 N O2 |
| SMILES | O=C1c2ccccc2C(=Cc2cc(NC(=O)C)ccc2)c2ccccc12 |
| Title of publication | 10-(3-Acetamidobenzylidene)anthrone |
| Authors of publication | Zhou, Wei; Hu, Wei-Xiao; Xia, Chun-Nian; Chen, Min-Qin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3170 - o3171 |
| a | 12.3847 ± 0.0003 Å |
| b | 7.4853 ± 0.0004 Å |
| c | 12.3351 ± 0.0003 Å |
| α | 90° |
| β | 128.764 ± 0.004° |
| γ | 90° |
| Cell volume | 891.63 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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