Information card for entry 7129545

Structure parameters

• Formula: C34 H33 F N2 O3
• Calculated formula: C34 H33 F N2 O3
• Title of publication: One-pot Synthesis of Multi-substituted Conjugated Dienones by Trapping Allene Carbocation with Active Ylides
• Authors of publication: Ni, Dan; Song, Longlong; Zhao, Yun; Liu, Shunying
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 20.3167 ± 0.0008 Å
• b: 11.1475 ± 0.0005 Å
• c: 13.7918 ± 0.0006 Å
• α: 90°
• β: 109.564 ± 0.001°
• γ: 90°
• Cell volume: 2943.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No