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Information card for entry 2234308
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| Coordinates | 2234308.cif |
|---|---|
| Structure factors | 2234308.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl- 1<i>H</i>-imidazole |
|---|---|
| Formula | C30 H25 Cl N2 |
| Calculated formula | C30 H25 Cl N2 |
| SMILES | ClC[C@@H](n1c(c(nc1c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1 |
| Title of publication | 1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl-1<i>H</i>-imidazole |
| Authors of publication | Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1153 |
| a | 9.6123 ± 0.0004 Å |
| b | 9.9437 ± 0.0003 Å |
| c | 24.9677 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2386.46 ± 0.14 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 | 0.0655 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (current) | 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 2/23/43. |
2234308.cif 2234308.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. |
2234308.cif 2234308.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234308.cif 2234308.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234308.cif 2234308.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234308.cif 2234308.hkl |
| 55578 | 2012-05-05 | cif/ Adding structures of 2234308 via cif-deposit CGI script. |
2234308.cif |
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Users of the data should acknowledge the original authors of the
structural data.