Crystallography Open Database

Information card for entry 7239734

Preview

Coordinates	7239734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H48 O7
Calculated formula	C43 H48 O7
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	10.969 ± 0.002 Å
b	18.363 ± 0.003 Å
c	19.253 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3878 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2534
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7239734.cif
246603	2020-01-05	cif/ Adding structures of 7239733, 7239734, 7239735, 7239736, 7239737, 7239738, 7239739 via cif-deposit CGI script.	7239734.cif