Crystallography Open Database

Information card for entry 7239736

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Coordinates	7239736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 O6
Calculated formula	C42 H48 O6
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	16.135 ± 0.003 Å
b	11.499 ± 0.004 Å
c	19.456 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3609.8 ± 1.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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