Crystallography Open Database

Information card for entry 7239737

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Coordinates	7239737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 N4 O4
Calculated formula	C44 H44 N4 O4
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	22.208 ± 0.004 Å
b	21.426 ± 0.004 Å
c	19.955 ± 0.004 Å
α	90°
β	110.64 ± 0.03°
γ	90°
Cell volume	8886 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1444
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2278
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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