Information card for entry 7250895

Structure parameters

• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• Title of publication: Regioselective C3–C4 difunctionalization of 4-bromocoumarins via Pd/norbornene catalysis
• Authors of publication: Feyzi, Aynaz; Jafarpour, Farnaz
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 34434 - 34438
• a: 5.6698 ± 0.0011 Å
• b: 10.893 ± 0.002 Å
• c: 13.585 ± 0.003 Å
• α: 72.75 ± 0.03°
• β: 85.55 ± 0.03°
• γ: 86.34 ± 0.03°
• Cell volume: 798.1 ± 0.3 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No