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Information card for entry 1519292
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| Coordinates | 1519292.cif |
|---|
| Formula | C45 H31.5 N7.5 O9 |
|---|---|
| Calculated formula | C45 H31.5 N7.5 O9 |
| Title of publication | N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide |
| Authors of publication | Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2001 |
| Pages of publication | 120 |
| a | 32.285 ± 0.002 Å |
| b | 11.8982 ± 0.0006 Å |
| c | 19.8475 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7624.1 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.3726 |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1519292.cif |
| 135642 | 2015-05-06 | cif/ Adding structures of 1519292 via cif-deposit CGI script. |
1519292.cif |
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Users of the data should acknowledge the original authors of the
structural data.