Information card for entry 7156189

Structure parameters

• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• Title of publication: Remote alkylation of N-(quinolin-8-yl)benzamides with alkyl bromides via ruthenium(ii)-catalyzed C-H bond activation.
• Authors of publication: Mariappan, Arumugam; Das, Krishna Mohan; Jeganmohan, Masilamani
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3419 - 3427
• a: 9.5682 ± 0.0003 Å
• b: 18.4465 ± 0.0007 Å
• c: 9.7648 ± 0.0004 Å
• α: 90°
• β: 104.808 ± 0.0017°
• γ: 90°
• Cell volume: 1666.25 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No