Crystallography Open Database

Information card for entry 4032641

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Structure parameters

Formula	C56 H98 N4 O4 Si4
Calculated formula	C56 H98 N4 O4 Si4
SMILES	c1c(ccc(c1)c1ccc(cc1)C1N(C(C(C)(C)N1O[Si](C)(C)C(C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C)c1ccc(cc1)C1N(O[Si](C)(C)C(C)(C)C)C(C(C)(C)N1O[Si](C)(C)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	7.1802 ± 0.0005 Å
b	11.4369 ± 0.0008 Å
c	19.3529 ± 0.0016 Å
α	98.727 ± 0.006°
β	90.143 ± 0.006°
γ	104.044 ± 0.006°
Cell volume	1522.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.088
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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.	4032641.cif
198729	2017-07-15	cif/ Adding structures of 4032634, 4032635, 4032636, 4032637, 4032638, 4032639, 4032640, 4032641 via cif-deposit CGI script.	4032641.cif