Crystallography Open Database

Information card for entry 7249135

Preview

Coordinates	7249135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Cl O7
Calculated formula	C31.9988 H38.999 Cl0.9998 O7
Title of publication	Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
Authors of publication	Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	32
Pages of publication	4272 - 4277
a	14.904 ± 0.004 Å
b	21.449 ± 0.006 Å
c	9.772 ± 0.003 Å
α	90°
β	110.651 ± 0.003°
γ	90°
Cell volume	2923.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0522
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249135.html