Crystallography Open Database

Information card for entry 7248570

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Coordinates	7248570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2 O6
Calculated formula	C20 H14 N2 O6
Title of publication	Facile synthesis of 2,5-dihydroxyterephthalic acid based charge transfer cocrystal for photoelectric applications
Authors of publication	Yin, Pei-Pei; Chen, Yu-E; Diao, Jia-Wei; Cheng, Yi-Yang; Yang, Xiao-Gang; Liu, Baozhong; Ma, Lufang
Journal of publication	CrystEngComm
Year of publication	2024
a	9.0499 ± 0.0008 Å
b	9.5985 ± 0.001 Å
c	11.2088 ± 0.0011 Å
α	64.656 ± 0.01°
β	78.043 ± 0.008°
γ	66.903 ± 0.009°
Cell volume	808.51 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0869
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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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