Information card for entry 4022191

Structure parameters

• Formula: C25 H26 O6
• Calculated formula: C25 H26 O6
• SMILES: O1C(OC(=O)C2(C1=O)[C@@H](CC=C[C@@H]2c1ccccc1)c1cc(cc(c1)OC)OC)(C)C.O1C(OC(=O)C2(C1=O)[C@H](CC=C[C@H]2c1ccccc1)c1cc(cc(c1)OC)OC)(C)C
• Title of publication: Modular Synthesis of Tetrahydrofluorenones from 5-Alkylidene Meldrum's Acids
• Authors of publication: Eric Fillion; Aaron M. Dumas; Sylvia A. Hogg
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 9899 - 9902
• a: 8.8685 ± 0.0003 Å
• b: 9.8291 ± 0.0003 Å
• c: 13.5654 ± 0.0005 Å
• α: 97.767 ± 0.001°
• β: 107.642 ± 0.001°
• γ: 101.452 ± 0.001°
• Cell volume: 1080.02 ± 0.06 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No