Crystallography Open Database

Information card for entry 7251979

7251978 << 7251979 >> 7251980

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Coordinates	7251979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O2
Calculated formula	C23 H18 N2 O2
Title of publication	Polymorphism-Dependent Mechanochromic Luminescence in a Donor-Acceptor Compound
Authors of publication	Fan, Zhi-Bo; Hou, Jia-Wang; Tong, Fei
Journal of publication	CrystEngComm
Year of publication	2026
a	16.3037 ± 0.0017 Å
b	15.1986 ± 0.0014 Å
c	15.9823 ± 0.0014 Å
α	90°
β	104.801 ± 0.005°
γ	90°
Cell volume	3828.9 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0498
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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