Crystallography Open Database

Information card for entry 7057788

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Coordinates	7057788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N4 O
Calculated formula	C32 H30 N4 O
Title of publication	H-Bonding and C‒H⋯π assisted mechanofluorochromism of triphenylamine-containing vinylheterocycles bearing cyano and methyl groups
Authors of publication	Peng, Jiang; Zhao, Jinyu; Zheng, Longde; Ye, Kaiqi; Sun, Jingbo; Lu, Ran
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	18269
a	7.8915 ± 0.0003 Å
b	12.9891 ± 0.0006 Å
c	13.8662 ± 0.0006 Å
α	69.849 ± 0.002°
β	89.757 ± 0.002°
γ	87.177 ± 0.002°
Cell volume	1332.59 ± 0.1 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258.02 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	0.0799
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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