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Information card for entry 4124610
Preview
Coordinates | 4124610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H52 B2 Cl2 F5 N3 |
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Calculated formula | C37 H52 B2 Cl2 F5 N3 |
SMILES | [B]1(=C2N(CCN2C(C(C)(C)C)=[N]1c1c(C)cc(C)cc1C)C12CC3CC(C2)CC(C1)C3)(c1c(C)cc(C)cc1C)F.[B](F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Isolation and Reactivity of 1,4,2-Diazaborole. |
Authors of publication | Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 35 |
Pages of publication | 11274 - 11277 |
a | 10.3443 ± 0.0006 Å |
b | 29.9302 ± 0.0015 Å |
c | 12.7246 ± 0.0007 Å |
α | 90° |
β | 111.635 ± 0.003° |
γ | 90° |
Cell volume | 3662.1 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1193 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.2118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4124610.html
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Users of the data should acknowledge the original authors of the
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