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Information card for entry 7156838
Preview
Coordinates | 7156838.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H23 Br F3 N4 O2 |
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Calculated formula | C33 H23 Br F3 N4 O2 |
Title of publication | The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition. |
Authors of publication | Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 22 |
Pages of publication | 5514 - 5519 |
a | 10.1503 ± 0.0006 Å |
b | 7.5835 ± 0.0004 Å |
c | 17.626 ± 0.001 Å |
α | 90° |
β | 93.768 ± 0.002° |
γ | 90° |
Cell volume | 1353.82 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0282 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0612 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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