Information card for entry 7156403

Structure parameters

• Formula: C29 H30 N2 O
• Calculated formula: C29 H30 N2 O
• Title of publication: Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.
• Authors of publication: Manoharan, Ramasamy; Jeganmohan, Masilamani
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8384 - 8389
• a: 8.697 ± 0.004 Å
• b: 11.477 ± 0.004 Å
• c: 12.404 ± 0.005 Å
• α: 93.694 ± 0.009°
• β: 96.086 ± 0.01°
• γ: 106.015 ± 0.01°
• Cell volume: 1177.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1124
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No