Information card for entry 7223502

Structure parameters

• Chemical name: 3,3,9,9-tetramethyl-6-phenyl-3,4,8,9,10,12-hexahydro-1H-6,12-methanodibenzo[d,g][1,3]dioxocine-1,11(2H)-dione
• Formula: C25 H28 O4
• Calculated formula: C25 H28 O4
• SMILES: C1(=O)CC(CC2=C1C1CC(c3ccccc3)(O2)OC2=C1C(=O)CC(C2)(C)C)(C)C
• Title of publication: Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes
• Authors of publication: Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 129
• Pages of publication: 106860
• a: 5.7508 ± 0.0011 Å
• b: 10.2102 ± 0.0019 Å
• c: 10.3282 ± 0.0019 Å
• α: 60.929 ± 0.002°
• β: 80.487 ± 0.003°
• γ: 76.75 ± 0.003°
• Cell volume: 514.89 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No