Information card for entry 7156443

Structure parameters

• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• Title of publication: Cp*Co(iii)-catalysed selective alkylation of C-H bonds of arenes and heteroarenes with α-diazocarbonyl compounds.
• Authors of publication: Ghorai, Jayanta; Chaitanya, Manthena; Anbarasan, Pazhamalai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 7346 - 7350
• a: 10.8008 ± 0.0007 Å
• b: 7.1714 ± 0.0003 Å
• c: 12.5418 ± 0.0007 Å
• α: 90°
• β: 101.366 ± 0.002°
• γ: 90°
• Cell volume: 952.4 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No