Crystallography Open Database

Information card for entry 7239738

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Coordinates	7239738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H74 Cl2 O16
Calculated formula	C77 H74 Cl2 O16
Title of publication	Weak intermolecular interaction directed assembly of calix[4]arene derivatives
Authors of publication	Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	46
Pages of publication	7114
a	26.68 ± 0.006 Å
b	16.08 ± 0.004 Å
c	17.734 ± 0.004 Å
α	90°
β	111.563 ± 0.003°
γ	90°
Cell volume	7076 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1469
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.281
Weighted residual factors for all reflections included in the refinement	0.3408
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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