Information card for entry 1513145

Structure parameters

• Formula: C24 H18 O
• Calculated formula: C24 H18 O
• SMILES: c1ccccc1C1=C(c2c(C1)cccc2)[C@@H]1C(=O)c2ccccc2C1
• Title of publication: Two-Component, Three-Molecule Reactions between 2,3-Dihydroinden-1-ones and Aryl Chlorides Catalyzed by anN-Heterocyclic Carbene‒Palladium(II)‒1-Methylimidazole Complex
• Authors of publication: Yin, Hui-Ying; Liu, Meng-Yuan; Shao, Li-Xiong
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 6042
• a: 7.9684 ± 0.0017 Å
• b: 11.671 ± 0.002 Å
• c: 18.419 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No