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Information card for entry 1548803
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| Coordinates | 1548803.cif |
|---|---|
| Structure factors | 1548803.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone |
|---|---|
| Formula | C16 H21 N O |
| Calculated formula | C16 H21 N O |
| SMILES | CN(C)c1ccc(cc1)/C=C/1CCC(CC1=O)C |
| Title of publication | (2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone |
| Authors of publication | Jebapriya, J. Christina; Reuben Jonathan, D.; Prasana, Johanan Christian; Usha, G. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | x171706 |
| a | 20.3655 ± 0.0016 Å |
| b | 7.6148 ± 0.0007 Å |
| c | 18.2999 ± 0.0016 Å |
| α | 90° |
| β | 99.254 ± 0.003° |
| γ | 90° |
| Cell volume | 2801 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1133 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.2176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205750 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 1548803 via cif-deposit CGI script. |
1548803.cif 1548803.hkl |
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Users of the data should acknowledge the original authors of the
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