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Information card for entry 8106476
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Coordinates | 8106476.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H49 B N2 O4 |
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Calculated formula | C42 H49 B N2 O4 |
Title of publication | The crystal structure of 3-(2-acetyl-4-butyramido-phenoxy)-2-hydroxy-N-isopropylpropan-1-aminium tetraphenylborate, C42H49BN2O4 |
Authors of publication | Ghabbour, Hazem A.; Mostafa, Gamal A.E. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 2 |
Pages of publication | 185 - 187 |
a | 12.5346 ± 0.0005 Å |
b | 23.4973 ± 0.0009 Å |
c | 12.9077 ± 0.0005 Å |
α | 90° |
β | 91.178 ± 0.001° |
γ | 90° |
Cell volume | 3800.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1476 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1764 |
Weighted residual factors for all reflections included in the refinement | 0.2253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/8106476.html
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