Crystallography Open Database

Information card for entry 4519267

4519266 << 4519267 >> 4519268

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Coordinates	4519267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 Cl N2 O
Calculated formula	C22 H15 Cl N2 O
Title of publication	Organocatalytic Electrosynthesis of Cinnolines through Cascade Radical Cyclization and Migration
Authors of publication	Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2021
Journal volume	9
Journal issue	50
Pages of publication	16989 - 16996
a	31.3976 ± 0.0009 Å
b	6.9692 ± 0.0002 Å
c	19.2078 ± 0.0005 Å
α	90°
β	125.086 ± 0.002°
γ	90°
Cell volume	3439.25 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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