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Information card for entry 1550856
Preview
Coordinates | 1550856.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H43 B Cl N3 |
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Calculated formula | C27 H43 B Cl N3 |
SMILES | Cl[B](=C1N(C(C)(C)CC1(C)C)c1c(C(C)C)cccc1C(C)C)=C1N(C)C(C)=C(N1C)C |
Title of publication | Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes |
Authors of publication | Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger |
Journal of publication | Chemical Science |
Year of publication | 2019 |
Journal volume | 10 |
Journal issue | 19 |
Pages of publication | 5095 - 5103 |
a | 9.1055 ± 0.0016 Å |
b | 10.5101 ± 0.0019 Å |
c | 13.919 ± 0.003 Å |
α | 87.33 ± 0.004° |
β | 88.935 ± 0.004° |
γ | 77.336 ± 0.005° |
Cell volume | 1298.2 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0814 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/1550856.html
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