Crystallography Open Database

Information card for entry 1574816

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Coordinates	1574816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 N2 O
Calculated formula	C25 H20 N2 O
Title of publication	Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.
Authors of publication	Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	29
Pages of publication	13345 - 13351
a	9.418 ± 0.015 Å
b	10.444 ± 0.017 Å
c	10.672 ± 0.017 Å
α	68.47 ± 0.02°
β	74.62 ± 0.02°
γ	73.96 ± 0.02°
Cell volume	923 ± 3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.2611
Residual factor for significantly intense reflections	0.0953
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.2387
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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