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Information card for entry 2311487
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| Coordinates | 2311487.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | VII |
|---|---|
| Chemical name | 3,5-Dibromo-4-cyanobenzoic acid‒anthracene (2/1) |
| Formula | C15 H8 Br2 N O2 |
| Calculated formula | C15 H8 Br2 N O2 |
| Title of publication | A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene. |
| Authors of publication | Noland, Wayland E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 11 |
| Pages of publication | 1743 - 1746 |
| a | 8.8963 ± 0.0008 Å |
| b | 9.4701 ± 0.0009 Å |
| c | 9.5839 ± 0.0009 Å |
| α | 115.356 ± 0.003° |
| β | 106.876 ± 0.003° |
| γ | 94.119 ± 0.003° |
| Cell volume | 680.03 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245923 (current) | 2019-12-25 | cif/ Adding structures of 2311487 via cif-deposit CGI script. |
2311487.cif |
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