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Information card for entry 4119272
Preview
Coordinates | 4119272.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H43 B2 N5 Si2 |
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Calculated formula | C23 H43 B2 N5 Si2 |
SMILES | [B]1(C(=C1c1ccccc1)B(N(C)C)N(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=CN1C)C |
Title of publication | Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity |
Authors of publication | Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 1903 - 1911 |
a | 12.7499 ± 0.0007 Å |
b | 8.977 ± 0.0005 Å |
c | 24.3871 ± 0.0013 Å |
α | 90° |
β | 94.498 ± 0.002° |
γ | 90° |
Cell volume | 2782.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.0976 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119272.html
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