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Information card for entry 8104723
Preview
| Coordinates | 8104723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 B N2 O2 |
|---|---|
| Calculated formula | C17 H13 B N2 O2 |
| Title of publication | The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C17H13BN2O2 |
| Authors of publication | Ren, Huaping; Miao, Zong-Cheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 821 - 822 |
| a | 10.082 ± 0.0014 Å |
| b | 13.1135 ± 0.0019 Å |
| c | 20.644 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2729.3 ± 0.7 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273600 (current) | 2022-03-10 | cif/ Adding structures of 8104723 via cif-deposit CGI script. |
8104723.cif |
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Users of the data should acknowledge the original authors of the
structural data.