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Information card for entry 7213131
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Coordinates | 7213131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 B N Si |
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Calculated formula | C12 H22 B N Si |
SMILES | [C@H]1([N](Cc2ccccc12)(C)[BH3])[Si](C)(C)C |
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 | 8.201 ± 0.002 Å |
b | 9.792 ± 0.003 Å |
c | 16.905 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1357.5 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
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/7213131.html
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