Crystallography Open Database

Information card for entry 7113244

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Coordinates	7113244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 N3 O2
Calculated formula	C35 H31 N3 O2
Title of publication	Liquid-crystalline terpyridines
Authors of publication	Kozhevnikov, Valery N.; Whitwood, Adrian C.; Bruce, Duncan W.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	37
Pages of publication	3826 - 3828
a	16.1072 ± 0.0012 Å
b	15.3466 ± 0.0012 Å
c	11.0231 ± 0.0008 Å
α	90°
β	98.079 ± 0.002°
γ	90°
Cell volume	2697.8 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.06
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102145
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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