Crystallography Open Database

Information card for entry 7239735

Preview

Coordinates	7239735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 O8
Calculated formula	C44 H48 O8
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	18.4376 ± 0.0007 Å
b	18.4376 ± 0.0007 Å
c	11.2852 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3836.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2331
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287883 (current)	2023-11-30	cif/7/23/97/ Removed extra trailing question mark symbols ('?') from data names in entries 7239734-7239735.	7239735.cif
246603	2020-01-05	cif/ Adding structures of 7239733, 7239734, 7239735, 7239736, 7239737, 7239738, 7239739 via cif-deposit CGI script.	7239735.cif