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Information card for entry 8106449
Preview
Coordinates | 8106449.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H11 Br N2 O3 |
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Calculated formula | C16 H11 Br N2 O3 |
Title of publication | Crystal structure of 2-amino-4-(4-bromo-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H11BrN2O3 |
Authors of publication | Yu, Xue-Jun; Zhao, Lin-Ping; Ma, Long-Ji; Gong, Hua-Fen |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 1 |
Pages of publication | 109 - 110 |
a | 21.504 ± 0.003 Å |
b | 8.2788 ± 0.001 Å |
c | 18.17 ± 0.003 Å |
α | 90° |
β | 110.511 ± 0.005° |
γ | 90° |
Cell volume | 3029.7 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0519 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.1176 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8106449.html
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