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Information card for entry 7200071
Preview
| Coordinates | 7200071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 Cl N O6 |
|---|---|
| Calculated formula | C21 H18 Cl N O6 |
| Title of publication | Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons |
| Authors of publication | Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 34 |
| a | 11.858 ± 0.003 Å |
| b | 4.8452 ± 0.0009 Å |
| c | 16.785 ± 0.003 Å |
| α | 90° |
| β | 102.47 ± 0.02° |
| γ | 90° |
| Cell volume | 941.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1903 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1211 (current) | 2025-07-01 | cif/ Adding structures of 7200070, 7200071 via cif-deposit CGI script. |
7200071.cif |
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Users of the data should acknowledge the original authors of the
structural data.