Crystallography Open Database

Information card for entry 7133853

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Coordinates	7133853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 B2 F4 N4
Calculated formula	C40 H24 B2 F4 N4
Title of publication	Zig-zag-fused π-extended BODIPYs via gold-catalysed cycloisomerisation
Authors of publication	Ohashi, Fumika; Takano, Hideaki; Shinokubo, Hiroshi
Journal of publication	Chemical Communications
Year of publication	2024
a	11.2443 ± 0.0002 Å
b	12.5476 ± 0.0003 Å
c	23.0507 ± 0.0004 Å
α	94.375 ± 0.002°
β	92.406 ± 0.001°
γ	112.285 ± 0.002°
Cell volume	2991.65 ± 0.11 Å³
Cell temperature	93.01 ± 0.13 K
Ambient diffraction temperature	93.01 ± 0.13 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	0.0684
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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