Crystallography Open Database

Information card for entry 4035924

Preview

Coordinates	4035924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 N4 O4 S2
Calculated formula	C26 H32 N4 O4 S2
Title of publication	Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.
Authors of publication	Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	1
Pages of publication	140 - 149
a	10.3012 ± 0.0007 Å
b	11.484 ± 0.0009 Å
c	12.611 ± 0.0009 Å
α	81.906 ± 0.006°
β	72.145 ± 0.006°
γ	68.197 ± 0.006°
Cell volume	1317.82 ± 0.18 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4035924.html