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Information card for entry 7115853
Preview
Coordinates | 7115853.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H59 B10 Li N4 O2 |
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Calculated formula | C24 H59 B10 Li N4 O2 |
SMILES | [N]1(=C2N(C(C)C)[BH]N(/C(=N/C(C)C)[BH]345[C]672[BH]28[CH]9%10[BH]%11%128[BH]862[B]237([H][Li]1([O](CC)CC)[O](CC)CC)[BH]1%118[BH]342[BH]59[BH]%10%1213)C(C)C)C(C)C |
Title of publication | Unprecedented formation of polycyclic diazadiborepine derivatives through cage deboronation of m-carborane |
Authors of publication | Nicole Harmgarth; Cristian G. Hrib; Volker Lorenz; Liane Hilfert; Frank T. Edelmann |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13239 |
a | 13.379 ± 0.003 Å |
b | 18.73 ± 0.004 Å |
c | 14.184 ± 0.003 Å |
α | 90° |
β | 96.55 ± 0.03° |
γ | 90° |
Cell volume | 3531.1 ± 1.3 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 | 0.0936 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1678 |
Weighted residual factors for all reflections included in the refinement | 0.1805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
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/7115853.html
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Users of the data should acknowledge the original authors of the
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