Information card for entry 4027482

Structure parameters

• Formula: C28 H24 O5
• Calculated formula: C28 H24 O5
• SMILES: c1ccccc1C(=O)[C@@H]1[C@H](c2c(ccc3ccccc23)O1)c1cc(c(c(c1)OC)OC)OC.c1ccccc1C(=O)[C@H]1[C@@H](c2c(ccc3ccccc23)O1)c1cc(c(c(c1)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: 8.064 ± 0.002 Å
• b: 9.03 ± 0.002 Å
• c: 16.884 ± 0.005 Å
• α: 97.742 ± 0.003°
• β: 98.905 ± 0.003°
• γ: 111.668 ± 0.002°
• Cell volume: 1103.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.059
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1154
• 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