Information card for entry 4037784

Structure parameters

• Formula: C34 H16 O5
• Calculated formula: C34 H16 O5
• SMILES: c12c3ccccc3C(=O)c1c1c3ccccc3C(=O)c1c1c3c(cccc3)OC(=O)c3c(C(=O)c21)cccc3
• Title of publication: Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.
• Authors of publication: Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 12.2221 ± 0.0019 Å
• b: 12.352 ± 0.002 Å
• c: 16.801 ± 0.003 Å
• α: 82.105 ± 0.005°
• β: 72.856 ± 0.005°
• γ: 81.232 ± 0.005°
• Cell volume: 2383.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2913
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No