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Information card for entry 8104543
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| Coordinates | 8104543.cif |
|---|
| Formula | C17 H14 Br4 N2 O5 S |
|---|---|
| Calculated formula | C17 H14 Br4 N2 O5 S |
| Title of publication | Crystal structure of benzothiazol-2-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate C~7~H~7~N~2~s~^+^.C~9~H~3~Br~4~O~4~^-^.CH~4~O~ |
| Authors of publication | Li, Jian |
| Journal of publication | Zeitschrift fur Kristallographie - NCS |
| Year of publication | 2012 |
| Pages of publication | 152 |
| a | 17.3522 ± 0.0017 Å |
| b | 13.6891 ± 0.0011 Å |
| c | 9.5605 ± 0.0008 Å |
| α | 90° |
| β | 101.638 ± 0.001° |
| γ | 90° |
| Cell volume | 2224.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1024 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216973 (current) | 2019-07-12 | cif/ Adding structures of 8104543 via cif-deposit CGI script. |
8104543.cif |
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