Information card for entry 7114923

Structure parameters

• Common name: 1,5-dioxa-4lambda4-selenaspiro[3.3]heptane
• Chemical name: 3,7-diphenyl-2,2,6,6-tetrakis(trifluoromethyl)- 1,5-dioxa-4lambda4-selenaspiro[3.3]heptane
• Formula: C20 H12 F12 O2 Se
• Calculated formula: C20 H12 F12 O2 Se
• Title of publication: Synthesis and thermolysis of novel spiroselenuranes bearing two oxaselenetane rings: double oxirane formation reactions from 1,5-dioxa-4λ4-selenaspiro[3.3]heptanes
• Authors of publication: Ohno, Fumihiko; Kawashima, Takayuki; Okazaki, Renji
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 463
• a: 9.621 ± 0.002 Å
• b: 22.144 ± 0.003 Å
• c: 16.221 ± 0.002 Å
• α: 90°
• β: 106.209 ± 0.014°
• γ: 90°
• Cell volume: 3318.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No