Information card for entry 1514552

Structure parameters

• Common name: RajanBabu 1913
• Formula: C29 H40 O9 Si
• Calculated formula: C29 H40 O9 Si
• SMILES: c1(c(c(cc2C(=O)[C@@]([C@H]([C@@H](c3cc4c(c(c3c12)OC)OCO4)O[Si](C)(C)C(C)(C)C)C)(C)O)OC)OC)OC
• Title of publication: Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes
• Authors of publication: Gong, Wei; RajanBabu, T. V.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3979
• a: 10.7843 ± 0.0001 Å
• b: 14.0454 ± 0.0002 Å
• c: 19.3783 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2935.23 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No