Information card for entry 2010162

Structure parameters

• Chemical name: 1-acetoxy-14-pentafluorophenyl-13-oxa-bicyclo[10.2.0]tetradecane
• Formula: C21 H25 F5 O3
• Calculated formula: C21 H25 F5 O3
• Title of publication: Product of a Paterno‒Büchi reaction of pentafluorobenzaldehyde and 1-acetoxycyclododecene
• Authors of publication: Brock, Carolyn Pratt; Watt, David S.; Hiroyuki Morita
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1805 - 1807
• a: 8.6548 ± 0.0004 Å
• b: 15.864 ± 0.0007 Å
• c: 14.9305 ± 0.0012 Å
• α: 90°
• β: 94.338 ± 0.005°
• γ: 90°
• Cell volume: 2044.1 ± 0.2 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.2083
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1627
• Weighted residual factors for significantly intense reflections: 0.1321
• Goodness-of-fit parameter for all reflections: 0.827
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No