Crystallography Open Database

Information card for entry 7240997

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Structure parameters

Formula	C23 H9 F8 I4 N O
Calculated formula	C23 H9 F8 I4 N O
Title of publication	Locked guest PAHs by soft–cavity–type host assembled via halogen bond to form luminescent cocrystals
Authors of publication	Wu, Wen Xin; Wang, Hui; Jin, Wei Jun
Journal of publication	CrystEngComm
Year of publication	2020
a	7.4156 ± 0.0003 Å
b	28.9261 ± 0.0013 Å
c	11.9542 ± 0.0005 Å
α	90°
β	98.256 ± 0.004°
γ	90°
Cell volume	2537.65 ± 0.19 Å³
Cell temperature	122 ± 30 K
Ambient diffraction temperature	122 ± 30 K
Number of distinct elements	6
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	0.0213
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.0517
Diffraction radiation probe	x-ray
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240997.cif
254824	2020-08-05	cif/ Adding structures of 7240997, 7240998, 7240999, 7241000, 7241001, 7241002 via cif-deposit CGI script.	7240997.cif