Information card for entry 7109750

Structure parameters

• Formula: C34 H32 B2 F8 N2
• Calculated formula: C34 H32 B2 F8 N2
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[n+]12c(cccc2)ccc(c1c1ccccc1)CC.[n+]12c(cccc2)ccc(c1c1ccccc1)CC
• 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: 7.2675 ± 0.0003 Å
• b: 7.9484 ± 0.0004 Å
• c: 27.5441 ± 0.0013 Å
• α: 82.921 ± 0.002°
• β: 83.61 ± 0.002°
• γ: 74.824 ± 0.002°
• Cell volume: 1518.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No