Crystallography Open Database

Information card for entry 7231928

7231927 << 7231928 >> 7231929

Preview

Coordinates	7231928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 O13
Calculated formula	C48 H56 O13
Title of publication	Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
Authors of publication	Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	3
Pages of publication	439
a	12.99 ± 0.003 Å
b	17.916 ± 0.004 Å
c	20.699 ± 0.005 Å
α	90°
β	106.068 ± 0.003°
γ	90°
Cell volume	4629.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.095
Weighted residual factors for significantly intense reflections	0.3234
Weighted residual factors for all reflections included in the refinement	0.3381
Goodness-of-fit parameter for all reflections included in the refinement	1.374
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
223738 (current)	2019-11-07	cif/ Updating files of 7231928, 7231929, 7231930, 7231931, 7231932, 7231933, 7231934, 7231935 Original log message: Adding full bibliography for 7231928--7231935.cif.	7231928.cif
212306	2018-12-04	cif/ Adding structures of 7231928, 7231929, 7231930, 7231931, 7231932, 7231933, 7231934, 7231935 via cif-deposit CGI script.	7231928.cif