Crystallography Open Database

Information card for entry 7133108

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Coordinates	7133108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 Cl2 N O2
Calculated formula	C35 H27 Cl2 N O2
Title of publication	Expedient Access to Polysubstituted Acrylamides via Strain-Release-Driven Dual Phosphine and Palladium Catalysis
Authors of publication	Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Yi, Wei; Gao, Yang; Hu, Xiao-Qiang
Journal of publication	Chemical Communications
Year of publication	2024
a	12.4215 ± 0.0008 Å
b	27.311 ± 0.002 Å
c	9.588 ± 0.0007 Å
α	90°
β	112.62 ± 0.003°
γ	90°
Cell volume	3002.5 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.1771
Residual factor for significantly intense reflections	0.1096
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.2381
Goodness-of-fit parameter for all reflections included in the refinement	1.36
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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