Information card for entry 7060405

Structure parameters

• Formula: C22 H18 O4
• Calculated formula: C22 H18 O4
• Title of publication: Unusual titanium-induced McMurry coupling of 4-oxo-4H-chromene-2-carbaldehydes enroute to bis-chromones
• Authors of publication: Yerrabelly, Jayaprakash Rao; Bathini, Pavan Kumar; Yerrabelly, Hemasri; Vadapalli, Kishore
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4705 - 4709
• a: 7.4743 ± 0.0005 Å
• b: 15.2098 ± 0.0008 Å
• c: 14.2562 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1620.68 ± 0.17 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 3
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 e b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No