Crystallography Open Database

Information card for entry 7226567

Preview

Coordinates	7226567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N6 O6
Calculated formula	C24 H30 N6 O6
SMILES	N1C(=O)[C@@H]2CCCN2C(=O)c2cncc(c2)NC(=O)[C@@H]2CCCN2C(=O)c2cncc1c2.OC.OC
Title of publication	Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides
Authors of publication	Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7685
a	8.1558 ± 0.0002 Å
b	12.8129 ± 0.0003 Å
c	22.6191 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2363.68 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188089 (current)	2016-11-08	cif/ Updating files of 7226566, 7226567, 7226568, 7226569, 7226570 Original log message: Adding full bibliography for 7226566--7226570.cif.	7226567.cif
186616	2016-09-17	cif/ Adding structures of 7226566, 7226567, 7226568, 7226569, 7226570 via cif-deposit CGI script.	7226567.cif