Information card for entry 7154300

Structure parameters

• Common name: 3-(4-Chlorophenyl)-2-(2-hydroxybenzoyl)-4H-furo[3,2-c]chromen-4-one
• Chemical name: 4c
• Formula: C24 H13 Cl O5
• Calculated formula: C24 H13 Cl O5
• SMILES: Clc1ccc(c2c(oc3c4ccccc4OC(=O)c23)C(=O)c2ccccc2O)cc1
• Title of publication: Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.
• Authors of publication: Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3602 - 3609
• a: 11.644 ± 0.003 Å
• b: 14.685 ± 0.002 Å
• c: 11.1346 ± 0.0019 Å
• α: 90°
• β: 91.878 ± 0.012°
• γ: 90°
• Cell volume: 1902.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1312
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No