Crystallography Open Database

Information card for entry 7123588

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Structure parameters

Formula	C20 H14 Cl N O
Calculated formula	C20 H14 Cl N O
Title of publication	Enantioselective reduction of azaarene-based ketones via visible light-driven photoredox asymmetric catalysis
Authors of publication	Qiao, Baokun; Li, Chunyang; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong
Journal of publication	Chemical Communications
Year of publication	2019
a	5.15285 ± 0.00017 Å
b	11.3914 ± 0.0005 Å
c	26.4345 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1551.66 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7123588.cif
215669	2019-06-04	cif/ Adding structures of 7123588 via cif-deposit CGI script.	7123588.cif