Crystallography Open Database

Information card for entry 7131057

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Coordinates	7131057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 N O4
Calculated formula	C15 H9 N O4
Title of publication	AIE-active aurones for circularly polarized luminescence and trace water detection.
Authors of publication	Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
a	3.855 ± 0.0004 Å
b	6.9039 ± 0.0007 Å
c	11.2145 ± 0.0011 Å
α	91.025 ± 0.002°
β	93.364 ± 0.003°
γ	96.825 ± 0.004°
Cell volume	295.75 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2224
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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