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Information card for entry 4107165
Preview
Coordinates | 4107165.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H56 B2 N2 |
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Calculated formula | C46 H56 B2 N2 |
SMILES | [B]12([H][B]2(c2c(cc(cc2C1)C)C)c1c(cc(cc1C)C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C |
Title of publication | Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond |
Authors of publication | Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 19044 - 19047 |
a | 16.1228 ± 0.0008 Å |
b | 20.1874 ± 0.0011 Å |
c | 12.8165 ± 0.0007 Å |
α | 90° |
β | 108.469 ± 0.002° |
γ | 90° |
Cell volume | 3956.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0866 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1458 |
Weighted residual factors for all reflections included in the refinement | 0.1647 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4107165.html
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Users of the data should acknowledge the original authors of the
structural data.