Crystallography Open Database

Information card for entry 7133850

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Coordinates	7133850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 B F2 N2 S
Calculated formula	C21 H13 B F2 N2 S
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	5.9057 ± 0.0001 Å
b	15.6724 ± 0.0004 Å
c	17.7952 ± 0.0005 Å
α	90°
β	97.537 ± 0.002°
γ	90°
Cell volume	1632.83 ± 0.07 Å³
Cell temperature	93 ± 0.1 K
Ambient diffraction temperature	93 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.205
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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