Crystallography Open Database

Information card for entry 7233396

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Coordinates	7233396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H19 N5 S
Calculated formula	C32 H19 N5 S
Title of publication	Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color
Authors of publication	Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	38
Pages of publication	5699
a	9.71088 ± 0.00005 Å
b	16.39216 ± 0.00009 Å
c	15.37234 ± 0.00009 Å
α	90°
β	97.2646 ± 0.0005°
γ	90°
Cell volume	2427.36 ± 0.02 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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