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Information card for entry 7120453
Preview
Coordinates | 7120453.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H19 N O5 |
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Calculated formula | C20 H19 N O5 |
SMILES | O1N2[C@@H](c3ccccc3)CC([C@H]1c1ccccc21)(C(=O)OC)C(=O)OC.O1N2[C@H](c3ccccc3)CC([C@@H]1c1ccccc21)(C(=O)OC)C(=O)OC |
Title of publication | Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives |
Authors of publication | Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun |
Journal of publication | Chem. Commun. |
Year of publication | 2017 |
a | 16.8611 ± 0.0008 Å |
b | 7.7647 ± 0.0003 Å |
c | 27.0984 ± 0.0013 Å |
α | 90° |
β | 98.764 ± 0.005° |
γ | 90° |
Cell volume | 3506.3 ± 0.3 Å3 |
Cell temperature | 293.23 ± 0.1 K |
Ambient diffraction temperature | 293.23 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.12 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.1784 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation probe | x-ray |
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/7120453.html
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