Crystallography Open Database

Information card for entry 7231929

7231928 << 7231929 >> 7231930

Preview

Coordinates	7231929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 O11
Calculated formula	C45 H36 O11
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	10.236 ± 0.002 Å
b	13.402 ± 0.003 Å
c	15.695 ± 0.004 Å
α	64.813 ± 0.006°
β	74.226 ± 0.006°
γ	83.78 ± 0.006°
Cell volume	1874.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1611
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
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.	7231929.cif
212306	2018-12-04	cif/ Adding structures of 7231928, 7231929, 7231930, 7231931, 7231932, 7231933, 7231934, 7231935 via cif-deposit CGI script.	7231929.cif