Crystallography Open Database

Information card for entry 4038515

Preview

Coordinates	4038515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B F2 N3
Calculated formula	C30 H30 B F2 N3
Title of publication	Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
Authors of publication	Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	13
Pages of publication	8360 - 8370
a	16.8071 ± 0.0011 Å
b	19.0449 ± 0.0014 Å
c	16.4613 ± 0.0011 Å
α	90°
β	98.752 ± 0.002°
γ	90°
Cell volume	5207.7 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
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	0.0886
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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