Information card for entry 7239236

Structure parameters

• Formula: C18 H14 O5
• Calculated formula: C18 H14 O5
• 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: 9.4706 ± 0.0019 Å
• b: 26.2 ± 0.005 Å
• c: 11.299 ± 0.002 Å
• α: 90°
• β: 95.64 ± 0.03°
• γ: 90°
• Cell volume: 2790 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No