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Information card for entry 1551614
Preview
| Coordinates | 1551614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | acedoben-dimepranol (4:2) |
|---|---|
| Chemical name | 4-acetamidobenzoic acid - N,N-dimethylamino-2-propanol (4:2) |
| Formula | C23 H31 N3 O7 |
| Calculated formula | C23 H31 N3 O7 |
| Title of publication | Drug-drug Multi-component Crystal of Acedoben‒Dimepranol 2:1 |
| Authors of publication | YOSHIDA, Tomomi; UMEDA, Daiki; PUTRA, Okky Dwichandra; UEKUSA, Hidehiro; YONEMOCHI, Etsuo |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2016 |
| Journal volume | 32 |
| Journal issue | 0 |
| Pages of publication | 39 |
| a | 7.78174 ± 0.00014 Å |
| b | 9.71395 ± 0.00018 Å |
| c | 63.5236 ± 0.0012 Å |
| α | 90° |
| β | 92.4271 ± 0.0007° |
| γ | 90° |
| Cell volume | 4797.53 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.255 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216225 (current) | 2019-06-20 | cif/ Adding structures of 1551614 via cif-deposit CGI script. |
1551614.cif |
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