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Information card for entry 8106794
Preview
Coordinates | 8106794.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H22 B N3 O7 |
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Calculated formula | C17 H22 B N3 O7 |
Title of publication | Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O |
Authors of publication | Ge, Chunhua; Liu, Juanjuan; Xü, Zhe; Zhang, Yang; Zhang, Xiangdong |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 89 - 91 |
a | 19.5516 ± 0.0019 Å |
b | 4.8474 ± 0.0005 Å |
c | 19.3396 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1832.9 ± 0.3 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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