Crystallography Open Database

Information card for entry 4033792

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Coordinates	4033792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cl3 N
Calculated formula	C17 H16 Cl3 N
Title of publication	Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.
Authors of publication	Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	4
Pages of publication	2234 - 2242
a	5.8286 ± 0.0002 Å
b	17.7357 ± 0.0005 Å
c	15.3923 ± 0.0005 Å
α	90°
β	91.769 ± 0.001°
γ	90°
Cell volume	1590.41 ± 0.09 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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