Crystallography Open Database

Information card for entry 7249326

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Coordinates	7249326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 F4 I2 O9
Calculated formula	C18 H30 F4 I2 O9
Title of publication	The C−I···O halogen bonding in crown ether chemistry
Authors of publication	Wang, Weizhou; Ji, Baoming
Journal of publication	CrystEngComm
Year of publication	2024
a	7.5332 ± 0.0005 Å
b	13.18 ± 0.0008 Å
c	14.1357 ± 0.0008 Å
α	105.855 ± 0.005°
β	91.408 ± 0.005°
γ	103.061 ± 0.005°
Cell volume	1309.59 ± 0.15 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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