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Information card for entry 1551683
Preview
| Coordinates | 1551683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 N O3 S2 |
|---|---|
| Calculated formula | C15 H13 N O3 S2 |
| Title of publication | Crystal Structure of Epalrestat Non-Solvate |
| Authors of publication | IGARASHI, Ryota; NAGASE, Hiromasa; FURUISHI, Takayuki; ENDO, Tomohiro; TOMONO, Kazuo; UEDA, Haruhisa |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2013 |
| Journal volume | 29 |
| Journal issue | 0 |
| Pages of publication | 23 |
| a | 8.20888 ± 0.00015 Å |
| b | 11.6639 ± 0.0002 Å |
| c | 16.3107 ± 0.0003 Å |
| α | 96.5985 ± 0.0008° |
| β | 93.8393 ± 0.0008° |
| γ | 104.678 ± 0.0008° |
| Cell volume | 1493.22 ± 0.05 Å3 |
| Cell temperature | 289 K |
| Ambient diffraction temperature | 289 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 significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216294 (current) | 2019-06-20 | cif/ Adding structures of 1551683 via cif-deposit CGI script. |
1551683.cif |
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