Crystallography Open Database

Information card for entry 7231934

7231933 << 7231934 >> 7231935

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Coordinates	7231934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H68 N4 O12
Calculated formula	C64 H68 N4 O12
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	18.745 ± 0.007 Å
b	18.745 ± 0.007 Å
c	16.688 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5864 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	7231934.cif
212306	2018-12-04	cif/ Adding structures of 7231928, 7231929, 7231930, 7231931, 7231932, 7231933, 7231934, 7231935 via cif-deposit CGI script.	7231934.cif