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Information card for entry 2200440
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| Coordinates | 2200440.cif |
|---|---|
| Structure factors | 2200440.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,8,9,10-Tetrakis(4-chlorophenyl)-1,3-diazaadamantan-6-one |
|---|---|
| Formula | C32 H24 Cl4 N2 O |
| Calculated formula | C32 H24 Cl4 N2 O |
| SMILES | N12CN3[C@H](c4ccc(cc4)Cl)C([C@H]1c1ccc(cc1)Cl)C(=O)C([C@@H]2c1ccc(cc1)Cl)[C@@H]3c1ccc(cc1)Cl |
| Title of publication | 4,8,9,10-Tetrakis(4-chlorophenyl)-1,3-diazaadamantan-6-one |
| Authors of publication | Krishnakumar, R. V.; Subha Nandhini, M.; Vijayakumar, V.; Natarajan, S.; Sundaravadivelu, M.; Perumal, S.; Mostad, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o860 - o862 |
| a | 6.818 ± 0.003 Å |
| b | 13.288 ± 0.004 Å |
| c | 30.67 ± 0.014 Å |
| α | 90° |
| β | 94.47 ± 0.03° |
| γ | 90° |
| Cell volume | 2770.2 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.102 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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