Information card for entry 7150542

Structure parameters

• Common name: 2-(1',2'-Dihydo-1',1'-dimethylbenzo(c)-quinolinium-2'-yl)-5,5- dimethyl-1,3-dioxocyclohexan-2-ide
• Chemical name: 2-(1',2'-Dihydo-1',1'-dimethylbenzo(c)-quinolinium-2'-yl)- 5,5-dimethyl-1,3-dioxocyclohexan-2-ide
• Formula: C23 H27 N O3
• Calculated formula: C23 H27 N O3
• SMILES: [O-]C1=C(C2[N+](c3c(cccc3)c3c2cccc3)(C)C)C(=O)CC(C1)(C)C.O
• 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: 9.3343 ± 0.0002 Å
• b: 10.2514 ± 0.0002 Å
• c: 11.3449 ± 0.0002 Å
• α: 114.442 ± 0.0008°
• β: 91.7559 ± 0.0008°
• γ: 105.049 ± 0.0008°
• Cell volume: 942.56 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No