Crystallography Open Database

Information card for entry 7135648

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Coordinates	7135648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H12 Cl8 N
Calculated formula	C28 H12 Cl8 N
Title of publication	D●–A Radicals Fabricated from Polychlorinated Trityl and Pyridinium Featuring a SOMO–LUMO Electronic Transition
Authors of publication	Li, Jingwen; Zhang, Ziqi; Li, Zenghui; Wang, Jing; Xu, Changyuan; Xiong, Jie; Yue, Ling; Rao, Bin
Journal of publication	Chemical Communications
Year of publication	2026
a	12.3163 ± 0.0004 Å
b	13.5475 ± 0.0004 Å
c	15.9782 ± 0.0005 Å
α	90°
β	101.319 ± 0.002°
γ	90°
Cell volume	2614.19 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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