Crystallography Open Database

Information card for entry 7100979

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Coordinates	7100979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 F6 N2 O4 Sb
Calculated formula	C42 H38 F6 N2 O4 Sb
SMILES	[Sb](F)(F)([F-])(F)(F)F.O(c1ccc(N(c2ccc(\C=C/c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1)C
Title of publication	A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues
Authors of publication	Stephen Barlow; Mikhail Yu Antipin; Jean-Luc Bredas; Veaceslav Coropceanu; Simon C. Jones; Victor Khrustalev; Tiffany L. Kinnibrugh; Zerubba Levi; Seth R. Marder; Chad Risko; Neil M. Tucker
Journal of publication	Chemical Communications
Year of publication	2005
a	10.5478 ± 0.001 Å
b	35.449 ± 0.003 Å
c	11.1632 ± 0.0011 Å
α	90°
β	116.442 ± 0.002°
γ	90°
Cell volume	3737.3 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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