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Information card for entry 1555573
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Coordinates | 1555573.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 1 |
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Formula | C23 H21 B N2 O2 |
Calculated formula | C23 H21 B N2 O2 |
SMILES | N1(c2c(C(=CB1c1cc(ccc1)C)C)cccc2)Cc1ccc(N(=O)=O)cc1 |
Title of publication | Axial Chirality about Boron-Carbon Bond: Atropisomeric Azaborines. |
Authors of publication | Mazzanti, Andrea; Mercanti, Elia; Mancinelli, Michele |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 11 |
Pages of publication | 2692 - 2695 |
a | 11.7488 ± 0.0003 Å |
b | 11.331 ± 0.0003 Å |
c | 16.0382 ± 0.0004 Å |
α | 90° |
β | 110.789 ± 0.001° |
γ | 90° |
Cell volume | 1996.09 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0588 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1419 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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/1555573.html
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Users of the data should acknowledge the original authors of the
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