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Information card for entry 7213133
Preview
Coordinates | 7213133.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H18 I N |
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Calculated formula | C12 H18 I N |
SMILES | [C@@H]1(CC)[N+](C)(C)Cc2ccccc12.[I-] |
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 | 8.639 ± 0.003 Å |
b | 7.619 ± 0.004 Å |
c | 9.731 ± 0.004 Å |
α | 90° |
β | 97.22 ± 0.03° |
γ | 90° |
Cell volume | 635.4 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0127 |
Residual factor for significantly intense reflections | 0.0125 |
Weighted residual factors for significantly intense reflections | 0.0317 |
Weighted residual factors for all reflections included in the refinement | 0.0318 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7213133.html
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