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Information card for entry 2240734
Preview
| Coordinates | 2240734.cif |
|---|---|
| Structure factors | 2240734.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,7-Dimethoxy-2,4-diphenylquinoline |
|---|---|
| Formula | C23 H19 N O2 |
| Calculated formula | C23 H19 N O2 |
| SMILES | O(c1cc2c(c3ccccc3)cc(nc2cc1OC)c1ccccc1)C |
| Title of publication | 6,7-Dimethoxy-2,4-diphenylquinoline |
| Authors of publication | Prabhuswamy, M.; Madan Kumar, S.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o165 |
| a | 8.7092 ± 0.0003 Å |
| b | 10.5639 ± 0.0003 Å |
| c | 20.34 ± 0.0007 Å |
| α | 85.678 ± 0.001° |
| β | 79.397 ± 0.001° |
| γ | 80.134 ± 0.001° |
| Cell volume | 1810.33 ± 0.1 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240734.cif 2240734.hkl |
| 136896 | 2015-05-18 | cif/ hkl/ Adding structures of 2240734 via cif-deposit CGI script. |
2240734.cif 2240734.hkl |
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Users of the data should acknowledge the original authors of the
structural data.