Crystallography Open Database

Information card for entry 7122015

7122014 << 7122015 >> 7122016

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Coordinates	7122015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H37 B F2 N2
Calculated formula	C44 H37 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	26.687 ± 0.002 Å
b	11.1023 ± 0.0009 Å
c	23.908 ± 0.002 Å
α	90°
β	99.655 ± 0.001°
γ	90°
Cell volume	6983.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.084
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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