Information card for entry 4114326

Structure parameters

• Common name: 1,2-oxastibetane
• Chemical name: 3,4'-Diphenyl-3,4'-bis(trifluoromethyl)-1-[4-(t-butyl)phenyl]spiro [2,1-benzoxastibole-1(3H),2'λ^5^-[1,2-oxastibetane]
• Formula: C34 H28 F9 O2 Sb
• Calculated formula: C34 H28 F9 O2 Sb
• SMILES: [Sb]12(O[C@@]([C@H]1c1ccccc1)(C(F)(F)F)c1ccccc1)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)C.[Sb]12(O[C@]([C@@H]1c1ccccc1)(C(F)(F)F)c1ccccc1)(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(C)(C)C
• Title of publication: Synthesis, Structure, and Thermolysis of a Pentacoordinate 1,2-Oxastibetane
• Authors of publication: Yosuke Uchiyama; Naokazu Kano; Takayuki Kawashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13346 - 13347
• a: 9.733 ± 0.002 Å
• b: 10.284 ± 0.005 Å
• c: 36.391 ± 0.007 Å
• α: 97.523 ± 0.006°
• β: 90.015 ± 0.013°
• γ: 118.133 ± 0.007°
• Cell volume: 3176.5 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1113
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No