Information card for entry 4021412

Structure parameters

• Common name: 3-phenyl-1,2-oxastibetane
• Formula: C34 H28 F9 O2 Sb
• Calculated formula: C34 H28 F9 O2 Sb
• SMILES: [Sb]12(O[C@@]([C@H]1c1ccccc1)(c1ccccc1)C(F)(F)F)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)C.[Sb]12(O[C@]([C@@H]1c1ccccc1)(c1ccccc1)C(F)(F)F)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)C
• Title of publication: Syntheses, Structures, and Thermolyses of Pentacoordinate 1,2-Oxastibetanes: Potential Intermediates in the Reactions of Stibonium Ylides with Carbonyl Compounds
• Authors of publication: Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 659 - 670
• a: 18.148 ± 0.003 Å
• b: 9.7367 ± 0.0015 Å
• c: 36.418 ± 0.007 Å
• α: 90°
• β: 98.6 ± 0.008°
• γ: 90°
• Cell volume: 6362.6 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.427
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No