Information card for entry 7150541

Structure parameters

• Common name: 5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) - dicyanomethide
• Chemical name: 5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) -dicyanomethide
• Formula: C18 H15 N3
• Calculated formula: C18 H15 N3
• SMILES: [N+]1(c2c(cccc2)c2c(cccc2)[C@H]1[C-](C#N)C#N)(C)C
• Title of publication: Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case
• Authors of publication: O'Leary, Jane; Wallis, John D.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 225 - 228
• a: 11.4599 ± 0.0004 Å
• b: 8.2053 ± 0.0003 Å
• c: 14.7752 ± 0.0007 Å
• α: 90°
• β: 92.142 ± 0.001°
• γ: 90°
• Cell volume: 1388.37 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No