Crystallography Open Database

Information card for entry 4032640

Preview

Structure parameters

Formula	C54 H96 N4 O4 S Si4
Calculated formula	C54 H96 N4 O4 S Si4
SMILES	s1c(ccc1c1ccc(cc1)C1N(C(C(N1O[Si](C)(C)C(C)(C)C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C)c1ccc(cc1)C1N(C(C(N1O[Si](C)(C)C(C)(C)C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C
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	7.3684 ± 0.0008 Å
b	10.964 ± 0.0011 Å
c	40.733 ± 0.004 Å
α	84.629 ± 0.002°
β	88.353 ± 0.003°
γ	73.129 ± 0.003°
Cell volume	3135.2 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4032640.cif
198729	2017-07-15	cif/ Adding structures of 4032634, 4032635, 4032636, 4032637, 4032638, 4032639, 4032640, 4032641 via cif-deposit CGI script.	4032640.cif