Crystallography Open Database

Information card for entry 7240920

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Coordinates	7240920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 N O
Calculated formula	C21 H15 N O
Title of publication	Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis
Authors of publication	Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	16
Pages of publication	5497 - 5503
a	14.5135 ± 0.0006 Å
b	11.7884 ± 0.0004 Å
c	18.8103 ± 0.0007 Å
α	90°
β	108.09 ± 0.002°
γ	90°
Cell volume	3059.2 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.99 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	0.097
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1901
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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