Crystallography Open Database

Information card for entry 7122016

7122015 << 7122016 >> 7122017

Preview

Coordinates	7122016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 B F2 N2
Calculated formula	C20 H21 B F2 N2
Title of publication	Copper-catalyzed α-benzylation of BODIPYs via radical-triggered oxidative cross-coupling of two C-H bonds.
Authors of publication	Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Boens, Noël
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	65
Pages of publication	9059 - 9062
a	11.5066 ± 0.0011 Å
b	11.9871 ± 0.0012 Å
c	13.3556 ± 0.0013 Å
α	90°
β	102.81 ± 0.001°
γ	90°
Cell volume	1796.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0687
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7122016.html