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Information card for entry 4119270
Preview
Coordinates | 4119270.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H24 B2 N4 |
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Calculated formula | C10 H24 B2 N4 |
SMILES | B(C#CB(N(C)C)N(C)C)(N(C)C)N(C)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 | 8.3848 ± 0.0002 Å |
b | 11.5802 ± 0.0004 Å |
c | 14.6971 ± 0.0004 Å |
α | 86.343 ± 0.001° |
β | 84.661 ± 0.001° |
γ | 71.837 ± 0.001° |
Cell volume | 1349.15 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4119270.html
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Users of the data should acknowledge the original authors of the
structural data.