Information card for entry 1504235

Structure parameters

• Formula: C24 H20 O2
• Calculated formula: C24 H20 O2
• SMILES: O=C(C(/C(=C/C)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Highly regio- and stereoselective addition of 1,3-diketones to internal alkynes catalyzed by cationic iridium complex.
• Authors of publication: Onodera, Gen; Kato, Minoru; Kawano, Ryo; Kometani, Yuri; Takeuchi, Ryo
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5038 - 5041
• a: 10.3835 ± 0.0013 Å
• b: 18.167 ± 0.002 Å
• c: 9.6747 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1825 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 2.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No