Crystallography Open Database

Information card for entry 7135408

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Coordinates	7135408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H48 Al F36 N2 O4
Calculated formula	C62 H48 Al F36 N2 O4
Title of publication	Stable Radical Cations Based on Indolo[3,2,1-jk]carbazole: Synthesis, Characterization, and Theoretical Calculation
Authors of publication	Yang, Jiayao; Yang, LinLin; Li, Tao; Zhao, Wanxiang
Journal of publication	Chemical Communications
Year of publication	2026
a	11.5239 ± 0.0003 Å
b	15.1374 ± 0.0003 Å
c	19.9082 ± 0.0004 Å
α	106.186 ± 0.001°
β	100.095 ± 0.001°
γ	96.151 ± 0.001°
Cell volume	3238.53 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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