Information card for entry 7107393

Structure parameters

• Formula: C24 H20 O
• Calculated formula: C24 H20 O
• SMILES: O=C1c2cc(ccc2[C@@]2([C@H]1CCc1ccccc21)c1ccccc1)C.O=C1c2cc(ccc2[C@]2([C@@H]1CCc1ccccc21)c1ccccc1)C
• Title of publication: HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes
• Authors of publication: Gen-Qiang Chen; Xiang-Ying Tang; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2340
• a: 9.997 ± 0.002 Å
• b: 8.796 ± 0.0019 Å
• c: 20.266 ± 0.005 Å
• α: 90°
• β: 99.471 ± 0.004°
• γ: 90°
• Cell volume: 1757.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No