Information card for entry 1504269

Structure parameters

• Formula: C24 H16 N2 O4
• Calculated formula: C24 H16 N2 O4
• SMILES: o1c2N(c3c(C(=O)c2c(c1c1ccccc1)c1ccc(N(=O)=O)cc1)cccc3)C
• 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: 15.538 ± 0.002 Å
• b: 7.301 ± 0.0008 Å
• c: 16.871 ± 0.002 Å
• α: 90°
• β: 98.46 ± 0.01°
• γ: 90°
• Cell volume: 1893.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1359
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9333
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No