Crystallography Open Database

Information card for entry 7156914

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Structure parameters

Formula	C20 H22 F2 O
Calculated formula	C20 H22 F2 O
Title of publication	Copper-mediated cascade radical cyclization of olefins with naphthalenyl iododifluoromethyl ketones.
Authors of publication	Peng, Peng; Huang, Guo-Zhi; Sun, Ying-Xin; Wang, Xing; Wu, Jing-Jing; Wu, Fan-Hong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	26
Pages of publication	6426 - 6431
a	10.0026 ± 0.0006 Å
b	25.7449 ± 0.0014 Å
c	7.0051 ± 0.0004 Å
α	90°
β	103.519 ± 0.002°
γ	90°
Cell volume	1753.94 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1057
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.2071
Weighted residual factors for all reflections included in the refinement	0.238
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156914.cif
225119	2019-11-08	cif/ Updating files of 7156914 Original log message: Adding full bibliography for 7156914.cif.	7156914.cif
215912	2019-06-13	cif/ Adding structures of 7156914 via cif-deposit CGI script.	7156914.cif