Information card for entry 1514989

Structure parameters

• Common name: RajanBabu 1793
• Formula: C38 H47 B O8 Sn
• Calculated formula: C37.978 H46.89 B O8 Sn0.989
• SMILES: C1(C(=C\[Sn](C)(C)C)\C(=C/B2OC(C(C)(C)O2)(C)C)Cc2c(c3c1cc1c(c3)OCO1)c(c(c(c2)OC)OC)OC)OCc1ccccc1
• 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: 10.8449 ± 0.0001 Å
• b: 13.7385 ± 0.0001 Å
• c: 14.5994 ± 0.0001 Å
• α: 78.148 ± 0.001°
• β: 75.225 ± 0.001°
• γ: 70.556 ± 0.001°
• Cell volume: 1965.93 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No