Crystallography Open Database

Information card for entry 7246133

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Coordinates	7246133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H28 N2 O6
Calculated formula	C35 H28 N2 O6
Title of publication	Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine
Authors of publication	Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	6
Pages of publication	909 - 912
a	8.6213 ± 0.0005 Å
b	36.7554 ± 0.0016 Å
c	9.9466 ± 0.0006 Å
α	90°
β	113.343 ± 0.007°
γ	90°
Cell volume	2893.9 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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