Information card for entry 7239238

Structure parameters

• Formula: C12 H7 F O3
• Calculated formula: C12 H7 F O3
• Title of publication: Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles
• Authors of publication: Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 20905
• a: 7.1648 ± 0.0014 Å
• b: 7.7947 ± 0.0016 Å
• c: 8.605 ± 0.0017 Å
• α: 74.65 ± 0.03°
• β: 80.31 ± 0.03°
• γ: 82.76 ± 0.03°
• Cell volume: 455.13 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No