Information card for entry 7156704

Structure parameters

• Formula: C34 H28 N2 O2
• Calculated formula: C34 H28 N2 O2
• Title of publication: Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.
• Authors of publication: Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3232 - 3238
• a: 10.4057 ± 0.0005 Å
• b: 10.8124 ± 0.0008 Å
• c: 13.1072 ± 0.0008 Å
• α: 103.696 ± 0.006°
• β: 104.327 ± 0.005°
• γ: 102.121 ± 0.005°
• Cell volume: 1330.51 ± 0.16 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No