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Information card for entry 4089120
Preview
Coordinates | 4089120.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H34 B Cl N P |
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Calculated formula | C22 H34 B Cl N P |
SMILES | ClB(N(C(C)C)C(C)C)c1c2c(P(C(C)C)C(C)C)cccc2ccc1 |
Title of publication | Amino and Alkyl B-Substituted P-Stabilized Borenium Salts |
Authors of publication | Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 21 |
Pages of publication | 3788 |
a | 8.159 ± 0.0005 Å |
b | 13.4167 ± 0.0007 Å |
c | 10.9519 ± 0.0006 Å |
α | 90° |
β | 110.021 ± 0.004° |
γ | 90° |
Cell volume | 1126.42 ± 0.11 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0297 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0591 |
Weighted residual factors for all reflections included in the refinement | 0.0611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089120.html
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