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CIF Information Card
Information card for 2015368
2015367 << 2015368 >> 2015369Preview
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Coordinates |
2015368.cif |
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Structure factors |
2015368.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (2RS,6SR)-N-diphenylacetyl-2,6-diphenyl-4-piperidone |
| Formula | - C31 H27 N O2 - |
| Calculated formula | - C31 H27 N O2 - |
| Title of publication | Sheets built from C—H...O and C—H...π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenyl-4-piperidone and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenyl-4-piperidinone |
| Authors of publication | Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o324 - o327 |
| a | 11.2499 ± 0.0002 Å |
| b | 11.8622 ± 0.0003 Å |
| c | 18.232 ± 0.0005 Å |
| α | 90° |
| β | 107.875 ± 0.0015° |
| γ | 90° |
| Cell volume | 2315.59 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0666 |
| Residual factor for observed reflections | 0.0454 |
| Weighted residual factors for the observed reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for observed reflections | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |