Crystallography Open Database

Information card for entry 7232429

Preview

Coordinates	7232429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H31.56 N4 O2
Calculated formula	C15 H31.7 N4 O2
Title of publication	The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives
Authors of publication	Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	14
Pages of publication	2398
a	20.4259 ± 0.0004 Å
b	4.79492 ± 0.00009 Å
c	21.6606 ± 0.0005 Å
α	90°
β	102.636 ± 0.002°
γ	90°
Cell volume	2070.07 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223650 (current)	2019-11-07	cif/ Updating files of 7232425, 7232426, 7232427, 7232428, 7232429, 7232430 Original log message: Adding full bibliography for 7232425--7232430.cif.	7232429.cif
213772	2019-02-22	cif/ Adding structures of 7232425, 7232426, 7232427, 7232428, 7232429, 7232430 via cif-deposit CGI script.	7232429.cif