Information card for entry 4501048

Structure parameters

• Chemical name: (1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-3,8-dien-12-one
• Formula: C11 H12 O3
• Calculated formula: C11 H12 O3
• Title of publication: Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment
• Authors of publication: Mehta, Goverdhan; Sen, Saikat
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3721
• a: 11.512 ± 0.002 Å
• b: 11.456 ± 0.002 Å
• c: 7.1028 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 936.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No