Crystallography Open Database

Information card for entry 7210229

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Structure parameters

Formula	C21 H9 F4 O2
Calculated formula	C21 H9 F4 O2
Title of publication	Rapid mechanochemical preparation of a sandwich-like charge transfer complex
Authors of publication	Chen, Hao; Gao, Fan; Yao, Erdong; Chen, Qi; Ma, Yuguo
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	22
Pages of publication	4413
a	8.3985 ± 0.0017 Å
b	9.819 ± 0.002 Å
c	10.245 ± 0.002 Å
α	70.94 ± 0.03°
β	81.82 ± 0.03°
γ	72.29 ± 0.03°
Cell volume	759.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7210229.cif
180433	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/02.	7210229.cif
87067	2013-07-13	cif/ Adding structures of 7210229 via cif-deposit CGI script.	7210229.cif