Crystallography Open Database

Information card for entry 7135933

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Coordinates	7135933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H24 F6
Calculated formula	C41 H24 F6
Title of publication	Synthesis and Characterizations of A π-Extended Nonbenzenoid Perylene
Authors of publication	Zhou, Laiyun; Bai, Yanru; Zhao, Yangyang; Liu, Guanghua; Rao, Bin; Zhang, Zhicheng; Wang, Qing
Journal of publication	Chemical Communications
Year of publication	2026
a	18.9255 ± 0.0004 Å
b	10.0582 ± 0.0002 Å
c	16.7712 ± 0.0004 Å
α	90°
β	108.759 ± 0.001°
γ	90°
Cell volume	3022.92 ± 0.11 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	3
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	0.1025
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2054
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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