Information card for entry 1514985

Structure parameters

• Common name: RajanBabu 1762
• Formula: C28 H35 N O7 Si
• Calculated formula: C28 H35 N O7 Si
• SMILES: c1(c(cc2c(c1)OCO2)[C@@H](C#C[Si](C)(C)C)O)c1c(cc(c(c1OC)OC)OC)C1=N[C@H](CO1)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: 11.4194 ± 0.0001 Å
• b: 10.9563 ± 0.0001 Å
• c: 12.2162 ± 0.0001 Å
• α: 90°
• β: 104.877 ± 0.001°
• γ: 90°
• Cell volume: 1477.19 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No