Crystallography Open Database

Information card for entry 7235482

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Coordinates	7235482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl N O S
Calculated formula	C16 H18 Cl N O S
Title of publication	Stereoselective synthesis of α-(dichloromethyl)-amines, α-(chloromethyl)amines, and α-chloro-aziridines
Authors of publication	Li, Desheng; Li, Ya; Chen, Zhiqiu; Shang, Huaqi; Li, Hongsen; Ren, Xinfeng
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	27
Pages of publication	14254
a	6.6951 ± 0.0009 Å
b	7.9252 ± 0.0011 Å
c	29.888 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1585.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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