Crystallography Open Database

Information card for entry 4125044

Preview

Coordinates	4125044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N4 O2
Calculated formula	C16 H18 N4 O2
Title of publication	End Groups of Functionalized Siloxane Oligomers Direct Block-Copolymeric or Liquid-Crystalline Self-Assembly Behavior.
Authors of publication	Zha, R. Helen; de Waal, Bas F. M.; Lutz, Martin; Teunissen, Abraham J. P.; Meijer, E. W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	17
Pages of publication	5693 - 5698
a	7.7614 ± 0.0004 Å
b	7.9275 ± 0.0004 Å
c	12.9954 ± 0.0006 Å
α	88.676 ± 0.002°
β	77.819 ± 0.002°
γ	80.925 ± 0.002°
Cell volume	771.76 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
183578 (current)	2016-06-17	cif/ Updating files of 4125044 Original log message: Adding full bibliography for 4125044.cif.	4125044.cif
182270	2016-04-28	cif/ Adding structures of 4125044 via cif-deposit CGI script.	4125044.cif