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Information card for entry 8106753
Preview
Coordinates | 8106753.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H18 B F3 N2 |
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Calculated formula | C19 H18 B F3 N2 |
Title of publication | Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine - a Z′ = 3 structure, C19H18B2F3N2 |
Authors of publication | Liu, Yingfan; Yan, Ming; Li, Xiaochuan; Li, Yajuan; Son, Young-A |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 6 |
Pages of publication | 1013 - 1015 |
a | 10.8885 ± 0.0006 Å |
b | 13.9767 ± 0.0008 Å |
c | 18.133 ± 0.001 Å |
α | 79.3484 ± 0.0019° |
β | 86.2213 ± 0.0009° |
γ | 73.461 ± 0.002° |
Cell volume | 2599.6 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1344 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.801 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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