Crystallography Open Database

Information card for entry 7122819

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Coordinates	7122819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 B F2 N2 S
Calculated formula	C21 H23 B F2 N2 S
Title of publication	Transition-Metal-Free Regioselective Cross-Coupling of BODIPYs with Thiols
Authors of publication	Lv, Fan; Tang, Bing; Hao, Erhong; Liu, Qingyun; Wang, Hua; Jiao, Lijuan
Journal of publication	Chemical Communications
Year of publication	2019
a	8.4332 ± 0.0003 Å
b	21.527 ± 0.0009 Å
c	11.4689 ± 0.0004 Å
α	90°
β	103.202 ± 0.002°
γ	90°
Cell volume	2027.05 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
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	0.0646
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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