Information card for entry 7128451

Structure parameters

• Common name: tetramethyl cage
• Chemical name: 2,4,8,10-tetramethyl-3,9-dioxapentacyclo [6.4.0.0^2,7.0^4,11.0^5,10]dodecane-6,12-dione
• Formula: C14 H16 O4
• Calculated formula: C14 H16 O4
• Title of publication: Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.
• Authors of publication: Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 55
• Pages of publication: 6725 - 6727
• a: 12.4105 ± 0.0012 Å
• b: 7.2547 ± 0.0007 Å
• c: 13.7901 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.6 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No