Information card for entry 4029153

Structure parameters

• Formula: C32 H24 O4
• Calculated formula: C32 H24 O4
• SMILES: C1(=O)c2ccccc2[C@@H]2[C@]1(c1ccccc1[C@H](CC(=O)c1ccccc1)[C@H]2C(=O)c1ccccc1)O.C1(=O)c2ccccc2[C@H]2[C@@]1(c1ccccc1[C@@H](CC(=O)c1ccccc1)[C@@H]2C(=O)c1ccccc1)O
• Title of publication: Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.
• Authors of publication: Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 2075 - 2081
• a: 33.16 ± 0.004 Å
• b: 9.213 ± 0.0013 Å
• c: 15.474 ± 0.002 Å
• α: 90°
• β: 97.427 ± 0.002°
• γ: 90°
• Cell volume: 4687.7 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No