Crystallography Open Database

Information card for entry 7057408

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Coordinates	7057408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H66 Br2 O5
Calculated formula	C51 H66 Br2 O5
Title of publication	2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions
Authors of publication	An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	10689
a	27.808 ± 0.003 Å
b	17.183 ± 0.002 Å
c	21.075 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	10070.2 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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