Crystallography Open Database

Information card for entry 7249322

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Coordinates	7249322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F8 I4 O10
Calculated formula	C32 H40 F8 I4 O10
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	9.7355 ± 0.0006 Å
b	12.4217 ± 0.0007 Å
c	18.1787 ± 0.0011 Å
α	88.582 ± 0.005°
β	80.631 ± 0.005°
γ	78.136 ± 0.005°
Cell volume	2122.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.093
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1778
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	No
Has F_obs	No

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