Crystallography Open Database

Information card for entry 7109751

Preview

Coordinates	7109751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 B2 F8 N2 O4
Calculated formula	C36 H32 B2 F7.929 N2 O4
Title of publication	A convenient synthesis of quinolizinium salts through Rh(III) or Ru(II)-catalyzed C-H bond activation of 2-alkenylpyridines
Authors of publication	Ching-Zong Luo; Parthasarathy Gandeepan; Chien-Hong Cheng
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	8528
a	10.592 ± 0.0002 Å
b	11.1165 ± 0.0002 Å
c	14.8645 ± 0.0003 Å
α	89.866 ± 0.001°
β	69.422 ± 0.001°
γ	88.073 ± 0.001°
Cell volume	1637.55 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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