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Information card for entry 2241014
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| Coordinates | 2241014.cif |
|---|---|
| Structure factors | 2241014.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5-Benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile |
|---|---|
| Formula | C24 H17 N O2 |
| Calculated formula | C24 H17 N O2 |
| SMILES | O1C(=C([C@H]([C@@H]1C(=O)c1ccccc1)c1ccccc1)C#N)c1ccccc1.O1C(=C([C@@H]([C@H]1C(=O)c1ccccc1)c1ccccc1)C#N)c1ccccc1 |
| Title of publication | Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile |
| Authors of publication | Rajni Swamy, V.; Krishnakumar, R.V.; Sivakumar, S.; Srinivasan, N.; Ranjith Kumar, R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o663 - o664 |
| a | 10.0704 ± 0.0007 Å |
| b | 15.7994 ± 0.0012 Å |
| c | 11.8632 ± 0.0009 Å |
| α | 90° |
| β | 98.886 ± 0.003° |
| γ | 90° |
| Cell volume | 1864.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1255 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241014.cif 2241014.hkl |
| 153461 | 2015-08-16 | cif/ hkl/ Adding structures of 2241014 via cif-deposit CGI script. |
2241014.cif 2241014.hkl |
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Users of the data should acknowledge the original authors of the
structural data.