Information card for entry 1514987

Structure parameters

• Common name: RajanBabu 1761
• Formula: C28 H36 O6 Si2
• Calculated formula: C28 H36 O6 Si2
• SMILES: [Si](C#CC(O)c1c(cc2OCOc2c1)c1c(cc(OC)c(OC)c1OC)CC#C[Si](C)(C)C)(C)(C)C
• Title of publication: On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans
• Authors of publication: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1221
• a: 10.3358 ± 0.0001 Å
• b: 10.7754 ± 0.0001 Å
• c: 13.7612 ± 0.0001 Å
• α: 103.096 ± 0.001°
• β: 100.398 ± 0.001°
• γ: 91.195 ± 0.001°
• Cell volume: 1465.19 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No