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Information card for entry 1514209
Preview
Coordinates | 1514209.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H33 N3 O9 S2 |
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Calculated formula | C28 H33 N3 O9 S2 |
SMILES | S(=O)(=O)(N[C@@H]1CC[C@@H](N(S(=O)(=O)c2ccc(C)cc2)C1)[C@@H](OC(=O)C)c1ccccc1)c1ccc(N(=O)=O)cc1.OC |
Title of publication | N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane. |
Authors of publication | Zhou, Jing; Yeung, Ying-Yeung |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 8 |
Pages of publication | 2134 - 2137 |
a | 29.758 ± 0.003 Å |
b | 6.786 ± 0.0007 Å |
c | 16.7258 ± 0.0018 Å |
α | 90° |
β | 117.029 ± 0.003° |
γ | 90° |
Cell volume | 3008.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0826 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1514209.html
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