Information card for entry 4103069

Structure parameters

• Common name: RajanBabu1733
• Formula: C24 H46 B N3 O2 Si Sn
• Calculated formula: C24 H46 B N3 O2 Si Sn
• SMILES: [C@@H]12C/C(=C/[Sn](C)(C)C)C(=C\B3N(CCN3C)C)/CN2C(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
• Title of publication: Stereoselective Cyclization of Functionalized 1,n-Diynes Mediated by [X-Y] Reagents [X-Y = R3Si-SnR'3 or (R2N)2B-SnR'3]: Synthesis and Properties of Atropisomeric 1,3-Dienes
• Authors of publication: Ramakrishna Reddy Singidi; Amanda M. Kutney; Judith C. Gallucci; T. V. RajanBabu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13078 - 13087
• a: 13.8572 ± 0.0002 Å
• b: 7.249 ± 0.0001 Å
• c: 15.4928 ± 0.0003 Å
• α: 90°
• β: 104.936 ± 0.001°
• γ: 90°
• Cell volume: 1503.69 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No