Information card for entry 4029152

Structure parameters

• Formula: C32 H22 Br2 O4
• Calculated formula: C32 H22 Br2 O4
• SMILES: Brc1ccc(cc1)C(=O)C[C@@H]1c2ccccc2[C@]2(C(=O)c3ccccc3[C@H]2CC(=O)c2ccc(Br)cc2)O1.Brc1ccc(cc1)C(=O)C[C@H]1c2ccccc2[C@@]2(C(=O)c3ccccc3[C@@H]2CC(=O)c2ccc(Br)cc2)O1
• 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: 9.4414 ± 0.0008 Å
• b: 11.806 ± 0.001 Å
• c: 13.625 ± 0.0018 Å
• α: 111.028 ± 0.002°
• β: 109.779 ± 0.002°
• γ: 96.138 ± 0.001°
• Cell volume: 1288.1 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No