Information card for entry 7122732

Structure parameters

• Formula: C27 H18 O2
• Calculated formula: C27 H18 O2
• Title of publication: Oxidative Tandem Annulation of 1-(2-Ethynylaryl)prop-2-en-1-ones Catalyzed by Cooperative Iodine and TBHP
• Authors of publication: Liu, Bang; Cheng, Jiang; Li, Yang; Li, Jin-Heng
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 12.883 ± 0.002 Å
• b: 10.655 ± 0.002 Å
• c: 13.918 ± 0.003 Å
• α: 90°
• β: 93.427 ± 0.003°
• γ: 90°
• Cell volume: 1907.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No