Crystallography Open Database

Information card for entry 7249323

Preview

Coordinates	7249323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 F8 I4 O10
Calculated formula	C24 H32 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	7.6327 ± 0.0005 Å
b	8.0627 ± 0.0006 Å
c	15.0373 ± 0.0012 Å
α	88.107 ± 0.006°
β	77.223 ± 0.006°
γ	89.966 ± 0.006°
Cell volume	901.97 ± 0.12 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	0.0601
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249323.html