Crystallography Open Database

Information card for entry 7232924

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Coordinates	7232924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 N2 O7
Calculated formula	C25 H18 N2 O7
Title of publication	Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid
Authors of publication	Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	29
Pages of publication	4401
a	6.6108 ± 0.0005 Å
b	9.5147 ± 0.0007 Å
c	17.1651 ± 0.001 Å
α	96.283 ± 0.005°
β	95.365 ± 0.005°
γ	103.343 ± 0.006°
Cell volume	1036.32 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0995
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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