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Information card for entry 2239028
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| Coordinates | 2239028.cif |
|---|---|
| Structure factors | 2239028.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methoxy-4,6-diphenylnicotinonitrile |
|---|---|
| Formula | C19 H14 N2 O |
| Calculated formula | C19 H14 N2 O |
| SMILES | COc1nc(cc(c1C#N)c1ccccc1)c1ccccc1 |
| Title of publication | 2-Methoxy-4,6-diphenylnicotinonitrile |
| Authors of publication | Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Swaidan, Ibrahim A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o228 |
| a | 15.0686 ± 0.0016 Å |
| b | 24.327 ± 0.003 Å |
| c | 3.8986 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1429.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239028.cif 2239028.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239028.cif 2239028.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239028.cif 2239028.hkl |
| 104860 | 2014-03-11 | cif/ hkl/ Adding structures of 2239028 via cif-deposit CGI script. |
2239028.cif 2239028.hkl |
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Users of the data should acknowledge the original authors of the
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