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Information card for entry 8106620
Preview
| Coordinates | 8106620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H37 B N4 O6 |
|---|---|
| Calculated formula | C36 H37 B N4 O6 |
| Title of publication | Crystal structure of bis(2-(2′-hydroxy-5′-methoxyphenyl)-1H-benzimidazole)boron – tetrahydrofuran (1/1), C36H37N4O6B |
| Authors of publication | Yin, Guo-jie; Zhang, Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 615 - 617 |
| a | 9.3404 ± 0.0004 Å |
| b | 19.8285 ± 0.001 Å |
| c | 17.8985 ± 0.0009 Å |
| α | 90° |
| β | 103.301 ± 0.005° |
| γ | 90° |
| Cell volume | 3226 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1712 |
| Weighted residual factors for all reflections included in the refinement | 0.2086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280664 (current) | 2023-01-30 | cif/ Adding structures of 8106620 via cif-deposit CGI script. |
8106620.cif |
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Users of the data should acknowledge the original authors of the
structural data.