Crystallography Open Database

Information card for entry 4038239

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Coordinates	4038239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 F2 N O4 S
Calculated formula	C23 H19 F2 N O4 S
Title of publication	Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.
Authors of publication	Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2020
Journal volume	16
Pages of publication	638 - 644
a	11.187 ± 0.006 Å
b	9.038 ± 0.005 Å
c	20.928 ± 0.011 Å
α	90°
β	97.133 ± 0.017°
γ	90°
Cell volume	2100 ± 2 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	6
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	0.0967
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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