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Information card for entry 2239513
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| Coordinates | 2239513.cif |
|---|---|
| Structure factors | 2239513.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol |
|---|---|
| Formula | C30 H25 N3 O3 |
| Calculated formula | C30 H25 N3 O3 |
| SMILES | O=N(=O)c1c(c2nc(c3ccccc3)c(n2[C@@H](Cc2ccccc2)CO)c2ccccc2)cccc1 |
| Title of publication | 2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol |
| Authors of publication | Li, Yizhen; Mao, Pu; Xiao, Yongmei; Yang, Liangru; Qu, Lingbo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o621 |
| a | 10.54812 ± 0.00016 Å |
| b | 12.77836 ± 0.00019 Å |
| c | 18.48 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2490.88 ± 0.07 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239513.cif 2239513.hkl |
| 181314 | 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 2/23/95. |
2239513.cif 2239513.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. |
2239513.cif 2239513.hkl |
| 112430 | 2014-05-01 | cif/ hkl/ Adding structures of 2239513 via cif-deposit CGI script. |
2239513.cif 2239513.hkl |
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