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Information card for entry 2240895
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| Coordinates | 2240895.cif |
|---|---|
| Structure factors | 2240895.hkl |
| Original IUCr paper | HTML |
| Common name | Pencycuron |
|---|---|
| Chemical name | 1-(4-Chlorobenzyl)-1-cyclopentyl-3-phenylurea |
| Formula | C19 H21 Cl N2 O |
| Calculated formula | C19 H21 Cl N2 O |
| SMILES | Clc1ccc(cc1)CN(C1CCCC1)C(=O)Nc1ccccc1 |
| Title of publication | Crystal structure of pencycuron |
| Authors of publication | Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o532 |
| a | 12.1585 ± 0.0005 Å |
| b | 8.6721 ± 0.0004 Å |
| c | 32.6152 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3438.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240895.cif 2240895.hkl |
| 139971 | 2015-07-04 | cif/ hkl/ Adding structures of 2240895 via cif-deposit CGI script. |
2240895.cif 2240895.hkl |
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Users of the data should acknowledge the original authors of the
structural data.