Crystallography Open Database

Information card for entry 7215476

Preview

Coordinates	7215476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 N O6
Calculated formula	C21 H21 N O6
Title of publication	The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules
Authors of publication	Adalder, Tapas Kumar; Dastidar, Parthasarathi
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	4867
a	13.957 ± 0.004 Å
b	10.086 ± 0.003 Å
c	17.006 ± 0.005 Å
α	90°
β	113.026 ± 0.005°
γ	90°
Cell volume	2203.2 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0717
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215476.cif
116157	2014-06-07	cif/ Updating files of 7215472, 7215473, 7215474, 7215475, 7215476, 7215477, 7215478, 7215479, 7215480, 7215481, 7215482, 7215483 Original log message: Adding full bibliography for 7215472--7215483.cif.	7215476.cif
112295	2014-04-30	cif/ Adding structures of 7215472, 7215473, 7215474, 7215475, 7215476, 7215477, 7215478, 7215479, 7215480, 7215481, 7215482, 7215483 via cif-deposit CGI script.	7215476.cif