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Information card for entry 1519821
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Coordinates | 1519821.cif |
---|
Formula | C32 H31 B N2 O2 |
---|---|
Calculated formula | C32 H31 B N2 O2 |
SMILES | C(=O)(N(C)C)O[n+]1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | C32H31BN2O2 |
Authors of publication | Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 323 |
a | 9.3182 ± 0.0001 Å |
b | 15.1558 ± 0.0002 Å |
c | 18.9653 ± 0.0002 Å |
α | 90° |
β | 99.587 ± 0.001° |
γ | 90° |
Cell volume | 2640.96 ± 0.05 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0522 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/1519821.html
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Users of the data should acknowledge the original authors of the
structural data.