Information card for entry 4027481

Structure parameters

• Formula: C28 H24 O5
• Calculated formula: C28 H24 O5
• SMILES: c1c(c(c(cc1[C@H]1c2c3ccccc3ccc2O[C@H]1C(=O)c1ccccc1)OC)OC)OC.c1c(c(c(cc1[C@@H]1c2c3ccccc3ccc2O[C@@H]1C(=O)c1ccccc1)OC)OC)OC
• Title of publication: Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization
• Authors of publication: Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8310 - 8316
• a: 15.598 ± 0.008 Å
• b: 5.885 ± 0.007 Å
• c: 24.32 ± 0.003 Å
• α: 90°
• β: 99.165 ± 0.01°
• γ: 90°
• Cell volume: 2204 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0874
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No