Crystallography Open Database

Information card for entry 1577279

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Coordinates	1577279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 F12 N S2
Calculated formula	C47 H34 F12 N S2
Title of publication	Electrolyte-anion-controlled reactivity of aromatic radical cations
Authors of publication	Shida, Naoki; Maekawa, Takuma; Yasuno, Yuki; Chong, Su-Gi; Tomita, Ikuyoshi; Atobe, Mahito; Inagi, Shinsuke
Journal of publication	Chemical Science
Year of publication	2026
a	9.4611 ± 0.0001 Å
b	11.4919 ± 0.0002 Å
c	19.2439 ± 0.0003 Å
α	101.655 ± 0.001°
β	94.146 ± 0.001°
γ	93.385 ± 0.001°
Cell volume	2037.99 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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