Crystallography Open Database

Information card for entry 4517731

Preview

Coordinates	4517731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37 N O3
Calculated formula	C32 H37 N O3
Title of publication	Visible-Light-Promoted Site-Specific and Diverse Functionalization of a C(sp3)‒C(sp3) Bond Adjacent to an Arene
Authors of publication	Wang, Yaxin; Wang, Nengyong; Zhao, Jianyou; Sun, Minzhi; You, Huichao; Fang, Fang; Liu, Zhong-Quan
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	6603 - 6612
a	11.8096 ± 0.0004 Å
b	6.187 ± 0.0002 Å
c	19.7061 ± 0.0007 Å
α	90°
β	105.867 ± 0.002°
γ	90°
Cell volume	1384.99 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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