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Information card for entry 7241285
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| Coordinates | 7241285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | flufenamic acid 2,2'-bipyridine (2:1) co-crystal |
|---|---|
| Formula | C19 H14 F3 N2 O2 |
| Calculated formula | C19 H14 F3 N2 O2 |
| Title of publication | From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows |
| Authors of publication | Hatcher, Lauren E.; Burgess, Ayrton J.; Payne, Pollyanna; Wilson, Chick C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 9.655 ± 0.0008 Å |
| b | 7.8337 ± 0.0004 Å |
| c | 21.8957 ± 0.0016 Å |
| α | 90° |
| β | 100.355 ± 0.007° |
| γ | 90° |
| Cell volume | 1629.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1393 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256638 (current) | 2020-09-23 | cif/ Adding structures of 7241285 via cif-deposit CGI script. |
7241285.cif |
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