Information card for entry 4037779

Structure parameters

• Formula: C44 H26 O7
• Calculated formula: C44 H26 O7
• SMILES: c1c(cccc1[C@@H]1C2(C(=O)c3ccccc3C2=O)[C@]23c4ccccc4C(=O)C2=C2[C@]1([C@@]1([C@H]3C(=O)c3ccccc13)O)C(=O)c1c2cccc1)OC.c1c(cccc1[C@H]1C2(C(=O)c3ccccc3C2=O)[C@@]23c4ccccc4C(=O)C2=C2[C@@]1([C@]1([C@@H]3C(=O)c3ccccc13)O)C(=O)c1c2cccc1)OC
• 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: 10.8951 ± 0.0007 Å
• b: 10.9386 ± 0.0008 Å
• c: 15.9614 ± 0.0011 Å
• α: 103.223 ± 0.002°
• β: 92.067 ± 0.002°
• γ: 116.954 ± 0.002°
• Cell volume: 1629.1 ± 0.2 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: 0.0974
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No