Information card for entry 1546284

Structure parameters

• Formula: C30 H26 O6
• Calculated formula: C30 H26 O6
• SMILES: O(Cc1ccccc1)C(=O)/C=C/CC1(C(=O)Oc2ccccc12)C(=C)CC(=O)OCc1ccccc1
• Title of publication: Phosphine-Catalyzed Domino β/γ-Additions of Benzofuranones with Allenoates: A Method for Unsymmetrical 3,3-Disubstituted Benzofuranones
• Authors of publication: Huang, Zhusheng; Yang, Xiuqin; Yang, Fulai; Lu, Tao; Zhou, Qingfa
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 14.273 ± 0.003 Å
• b: 7.351 ± 0.0015 Å
• c: 24.745 ± 0.005 Å
• α: 90°
• β: 100.76 ± 0.03°
• γ: 90°
• Cell volume: 2550.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1995
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No