Crystallography Open Database

Information card for entry 1570621

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Coordinates	1570621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 F3 N
Calculated formula	C29 H18 F3 N
Title of publication	Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.
Authors of publication	Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	6
Pages of publication	2112 - 2117
a	22.8051 ± 0.0003 Å
b	22.8051 ± 0.0003 Å
c	8.2792 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4305.78 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2877
Weighted residual factors for all reflections included in the refinement	0.2963
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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