Information card for entry 1514988

Structure parameters

• Common name: RajanBabu 1842
• Formula: C29 H37 N O8 Si
• Calculated formula: C29 H37 N O8 Si
• SMILES: c1(c(cc2c(c1OC)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: 10.1179 ± 0.0001 Å
• b: 13.7992 ± 0.0001 Å
• c: 21.5342 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006.58 ± 0.05 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No