Information card for entry 7107390

Structure parameters

• Formula: C23 H18 O
• Calculated formula: C23 H18 O
• SMILES: O=C1c2ccccc2[C@@]2([C@H]1CCc1ccccc21)c1ccccc1.O=C1c2ccccc2[C@]2([C@@H]1CCc1ccccc21)c1ccccc1
• 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: 13.066 ± 0.003 Å
• b: 11.863 ± 0.003 Å
• c: 10.534 ± 0.002 Å
• α: 90°
• β: 98.516 ± 0.003°
• γ: 90°
• Cell volume: 1614.8 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No