Crystallography Open Database

Information card for entry 7056736

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Coordinates	7056736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H18 N4 O
Calculated formula	C35 H18 N4 O
Title of publication	Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB
Authors of publication	Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang
Journal of publication	New Journal of Chemistry
Year of publication	2017
a	9.945 ± 0.002 Å
b	10.712 ± 0.002 Å
c	13.518 ± 0.003 Å
α	68.19 ± 0.03°
β	81.65 ± 0.03°
γ	75.2 ± 0.03°
Cell volume	1290.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1769
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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