Information card for entry 1555683

Structure parameters

• Formula: C35 H40 O10
• Calculated formula: C35 H40 O10
• SMILES: O=C1C(=CC(=C(C1(c1c(OC)cc(OC)cc1OC)C)C)c1c(OC)cc(OC)cc1OC)c1c(OC)cc(OC)cc1OC
• Title of publication: Direct Synthesis of Polyaryls by Consecutive Oxidative Cross-Coupling of Phenols with Arenes.
• Authors of publication: Dyadyuk, Alina; Sudheendran, Kavitha; Vainer, Yulia; Vershinin, Vlada; Shames, Alexander I.; Pappo, Doron
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4324 - 4327
• a: 27.853 ± 0.002 Å
• b: 15.8192 ± 0.0009 Å
• c: 16.3354 ± 0.0009 Å
• α: 90°
• β: 93.008 ± 0.005°
• γ: 90°
• Cell volume: 7187.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No