Information card for entry 7213138

Structure parameters

• Formula: C20 H16 N2
• Calculated formula: C20 H16 N2
• SMILES: n1c(c2c(cccc2cc1)C)c1nccc2cccc(c12)C
• Title of publication: 8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †
• Authors of publication: Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 3677
• a: 31.695 ± 0.002 Å
• b: 31.695 ± 0.002 Å
• c: 7.7985 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6784.6 ± 0.9 ų
• Cell temperature: 296.7 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 2.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No