Crystallography Open Database

Information card for entry 7156827

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Coordinates	7156827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 B F2 N2 O
Calculated formula	C19 H17 B F2 N2 O
Title of publication	Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.
Authors of publication	Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	5121 - 5128
a	23.533 ± 0.002 Å
b	10.2022 ± 0.0011 Å
c	16.6772 ± 0.0018 Å
α	90°
β	120.507 ± 0.006°
γ	90°
Cell volume	3449.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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