Crystallography Open Database

Information card for entry 7239733

Preview

Coordinates	7239733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 O6
Calculated formula	C30 H24 O6
SMILES	Oc1c2cc(cc1Cc1c(O)c(ccc1)Cc1cc(cc(c1O)Cc1c(O)c(ccc1)C2)C=O)C=O
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	25.15 ± 0.003 Å
b	25.15 ± 0.003 Å
c	14.827 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	9378 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1387
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1994
Weighted residual factors for all reflections included in the refinement	0.2529
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7239733.cif
246603	2020-01-05	cif/ Adding structures of 7239733, 7239734, 7239735, 7239736, 7239737, 7239738, 7239739 via cif-deposit CGI script.	7239733.cif