Information card for entry 7134995

Structure parameters

• Formula: C27 H22 N2 O2
• Calculated formula: C27 H22 N2 O2
• Title of publication: Cobalt-catalyzed regioselective (4+2)-annulation of benzamides with allenyl carbinol acetates: access to 3-vinylisoquinolinones.
• Authors of publication: Kumar, Pravin; Dash, Om Prakash; Volla, Chandra M. R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 87
• Pages of publication: 16962 - 16965
• a: 5.8439 ± 0.0002 Å
• b: 38.1781 ± 0.0014 Å
• c: 9.1909 ± 0.0005 Å
• α: 90°
• β: 94.124 ± 0.004°
• γ: 90°
• Cell volume: 2045.26 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No