Crystallography Open Database

Information card for entry 7057407

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Coordinates	7057407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H63 Br O5
Calculated formula	C49 H63 Br 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	11.294 ± 0.003 Å
b	13.33 ± 0.003 Å
c	15.319 ± 0.004 Å
α	80.401 ± 0.007°
β	89.62 ± 0.009°
γ	82.038 ± 0.009°
Cell volume	2251.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3615
Residual factor for significantly intense reflections	0.1281
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.3037
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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