Information card for entry 4037778

Structure parameters

• Formula: C43 H24 O6
• Calculated formula: C43 H24 O6
• SMILES: C1(=O)c2ccccc2C(=O)C21[C@H](c1ccccc1)[C@]13C(=O)c4ccccc4C1=C1C(=O)c4ccccc4[C@]21[C@H]1C(=O)c2ccccc2[C@@]31O.C1(=O)c2ccccc2C(=O)C21[C@@H](c1ccccc1)[C@@]13C(=O)c4ccccc4C1=C1C(=O)c4ccccc4[C@@]21[C@@H]1C(=O)c2ccccc2[C@]31O
• 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: 10.7698 ± 0.0007 Å
• b: 11.5546 ± 0.0009 Å
• c: 14.496 ± 0.001 Å
• α: 100.952 ± 0.002°
• β: 97.886 ± 0.002°
• γ: 117.45 ± 0.002°
• Cell volume: 1518.44 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No