Information card for entry 4501050

Structure parameters

• Chemical name: (1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-2,4,7,9-tetraen-12-one
• Formula: C11 H8 O3
• Calculated formula: C11 H8 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: 8.047 ± 0.002 Å
• b: 14.343 ± 0.004 Å
• c: 7.804 ± 0.002 Å
• α: 90°
• β: 91.885 ± 0.004°
• γ: 90°
• Cell volume: 900.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No