Crystallography Open Database

Information card for entry 7129264

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Coordinates	7129264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 F3 N O P
Calculated formula	C23 H21 F3 N O P
Title of publication	Organic Photoredox Catalytic α-C(sp3)–H Phosphorylation of Saturated Aza-Heterocycles
Authors of publication	Yi, Ming-Jun; Xiao, Teng-Fei; Li, Wen-Hui; Zhang, Yi-Fan; Yan, Pen-Ji; Zhang, Baoxin; Xu, Peng-Fei; Xu, Guo-Qiang
Journal of publication	Chemical Communications
Year of publication	2021
a	8.8027 ± 0.0001 Å
b	20.21 ± 0.0002 Å
c	11.4809 ± 0.0001 Å
α	90°
β	103.074 ± 0.001°
γ	90°
Cell volume	1989.54 ± 0.04 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
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	0.0408
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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