Crystallography Open Database

Information card for entry 7057787

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Coordinates	7057787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 N2 S
Calculated formula	C29 H24 N2 S
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	22.5283 ± 0.0007 Å
b	5.7765 ± 0.0002 Å
c	19.8649 ± 0.0006 Å
α	90°
β	114.852 ± 0.001°
γ	90°
Cell volume	2345.72 ± 0.13 Å³
Cell temperature	196 ± 2 K
Ambient diffraction temperature	196.4 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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