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Information card for entry 1543671
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| Coordinates | 1543671.cif |
|---|---|
| Structure factors | 1543671.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate |
|---|---|
| Formula | C24 H18 F N3 O2 |
| Calculated formula | C23.9999 H17.9995 F N3 O2 |
| Title of publication | Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate |
| Authors of publication | Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | x161124 |
| a | 18.4827 ± 0.0012 Å |
| b | 9.8467 ± 0.0006 Å |
| c | 22.0681 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4016.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184488 (current) | 2016-07-16 | cif/ hkl/ Adding structures of 1543671 via cif-deposit CGI script. |
1543671.cif 1543671.hkl |
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Users of the data should acknowledge the original authors of the
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