Information card for entry 1502359

Structure parameters

• Formula: C31 H31 O4
• Calculated formula: C28 H24 O4
• SMILES: c1(cc(c2[C@H]3Cc4ccccc4[C@H]3c3c(c(c(c1c23)OC)OC)OC)O)c1ccccc1.c1(cc(c2[C@@H]3Cc4ccccc4[C@@H]3c3c(c(c(c1c23)OC)OC)OC)O)c1ccccc1
• Title of publication: Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans.
• Authors of publication: Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4316 - 4319
• a: 11.1319 ± 0.0002 Å
• b: 17.695 ± 0.0002 Å
• c: 13.8306 ± 0.0002 Å
• α: 90°
• β: 113.704 ± 0.001°
• γ: 90°
• Cell volume: 2494.5 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No