Crystallography Open Database

Information card for entry 4035922

Preview

Coordinates	4035922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H98 N4 O6 S4 Si4
Calculated formula	C58 H98 N4 O6 S4 Si4
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	48.0321 ± 0.0015 Å
b	10.6191 ± 0.0002 Å
c	14.3112 ± 0.0005 Å
α	90°
β	98.054 ± 0.003°
γ	90°
Cell volume	7227.5 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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