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Information card for entry 1519543
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Coordinates | 1519543.cif |
---|
Formula | C31 H55 B F4 N2 |
---|---|
Calculated formula | C31 H55 B F4 N2 |
SMILES | c1n(c2c(cccc2)[n+]1CCCCCCCCCCCC)CCCCCCCCCCCC.[B](F)(F)(F)[F-] |
Title of publication | C31H55BF4N2 |
Authors of publication | Butts, Craig; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2003 |
Pages of publication | 953 |
a | 9.2786 ± 0.0002 Å |
b | 9.7633 ± 0.0002 Å |
c | 19.4797 ± 0.0005 Å |
α | 93.186 ± 0.002° |
β | 94.985 ± 0.001° |
γ | 114.742 ± 0.001° |
Cell volume | 1588.34 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1222 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/1519543.html
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Users of the data should acknowledge the original authors of the
structural data.