Information card for entry 7112737

Structure parameters

• Formula: C23 H14 O3
• Calculated formula: C23 H14 O3
• SMILES: C1(=O)c2ccccc2C(=O)C1=C(C(=O)c1ccccc1)c1ccccc1
• Title of publication: Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes
• Authors of publication: Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5304
• a: 9.589 ± 0.0007 Å
• b: 9.7155 ± 0.0006 Å
• c: 10.3144 ± 0.0007 Å
• α: 62.929 ± 0.003°
• β: 81.411 ± 0.004°
• γ: 84.972 ± 0.005°
• Cell volume: 845.83 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No