Crystallography Open Database

Information card for entry 4510128

Preview

Coordinates	4510128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N4 O2
Calculated formula	C15 H23 N4 O2
Title of publication	Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon
Authors of publication	Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1221
a	7.5238 ± 0.0009 Å
b	16.626 ± 0.002 Å
c	26.574 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3324.2 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.183
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510128.cif
106342	2014-03-15	cif/ Adding structures of 4510127, 4510128 via cif-deposit CGI script.	4510128.cif