Information card for entry 1504268

Structure parameters

• Formula: C25 H16 O5
• Calculated formula: C25 H16 O5
• SMILES: o1c(c2ccccc2)c(c2ccc(C(=O)OC)cc2)c2c1c1c(oc2=O)cccc1
• Title of publication: A Pd-catalyzed heteroannulation approach to 2,3-disubstituted furo[3,2-c]coumarins.
• Authors of publication: Raffa, Guillaume; Rusch, Marion; Balme, Geneviève; Monteiro, Nuno
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 5254 - 5257
• a: 8.545 ± 0.005 Å
• b: 20.367 ± 0.005 Å
• c: 11.172 ± 0.005 Å
• α: 90°
• β: 102.078 ± 0.005°
• γ: 90°
• Cell volume: 1901.3 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1603
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections: 0.2136
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0803
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No