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Information card for entry 7213130
Preview
Coordinates | 7213130.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H16 B N |
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Calculated formula | C10 H16 B N |
SMILES | C1(C)[N]([BH3])(C)Cc2ccccc12 |
Title of publication | The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex |
Authors of publication | Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 1999 |
Journal issue | 17 |
Pages of publication | 2439 |
a | 10.061 ± 0.003 Å |
b | 9.145 ± 0.003 Å |
c | 11.597 ± 0.005 Å |
α | 90° |
β | 114.76 ± 0.03° |
γ | 90° |
Cell volume | 968.9 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
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/7213130.html
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Users of the data should acknowledge the original authors of the
structural data.