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Information card for entry 4515762
Preview
Coordinates | 4515762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 N2 O6 S |
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Calculated formula | C36 H36 N2 O6 S |
SMILES | S(=O)(=O)(N1C(C(=O)OCC)([C@@H]2N(c3c([C@@]2([C@@H]1c1ccccc1)C)cccc3)Cc1ccccc1)C(=O)OCC)c1ccccc1 |
Title of publication | Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines |
Authors of publication | Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 11 |
Pages of publication | 10261 |
a | 9.3322 ± 0.0003 Å |
b | 18.7754 ± 0.0005 Å |
c | 9.4931 ± 0.0003 Å |
α | 90° |
β | 107.649 ± 0.003° |
γ | 90° |
Cell volume | 1585.05 ± 0.09 Å3 |
Cell temperature | 296.31 ± 0.1 K |
Ambient diffraction temperature | 296.31 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0515 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1282 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4515762.html
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