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Information card for entry 1551532
Preview
| Coordinates | 1551532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H94 Cl2 N12 O11 |
|---|---|
| Calculated formula | C60 H94 Cl2 N12 O11 |
| Title of publication | Crystal Structure of Gramicidin S Hydrochloride at 1.1 Å Resolution |
| Authors of publication | ASANO, Akiko; DOI, Mitsunobu |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2019 |
| Journal volume | 35 |
| Journal issue | 0 |
| Pages of publication | 1 |
| a | 34.9877 ± 0.0014 Å |
| b | 23.3809 ± 0.0014 Å |
| c | 18.8662 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15433.4 ± 1.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1793 |
| Residual factor for significantly intense reflections | 0.165 |
| Weighted residual factors for significantly intense reflections | 0.4007 |
| Weighted residual factors for all reflections included in the refinement | 0.4081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.756 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216142 (current) | 2019-06-20 | cif/ Adding structures of 1551532 via cif-deposit CGI script. |
1551532.cif |
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