Crystallography Open Database

Information card for entry 4032636

Preview

Coordinates	4032636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 N4 O4
Calculated formula	C32 H36 N4 O4
SMILES	c1c(ccc(c1)c1ccc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O)c1ccc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O
Title of publication	Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.
Authors of publication	Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin
Journal of publication	The Journal of organic chemistry
Year of publication	2017
a	11.5064 ± 0.0009 Å
b	9.9143 ± 0.001 Å
c	12.9226 ± 0.0012 Å
α	90°
β	112.061 ± 0.007°
γ	90°
Cell volume	1366.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1587
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2321
Weighted residual factors for all reflections included in the refinement	0.2959
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198729 (current)	2017-07-15	cif/ Adding structures of 4032634, 4032635, 4032636, 4032637, 4032638, 4032639, 4032640, 4032641 via cif-deposit CGI script.	4032636.cif