Information card for entry 7122454

Structure parameters

• Formula: C18 H20 I N3 O2
• Calculated formula: C18 H20 I N3 O2
• Title of publication: Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.
• Authors of publication: Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 88
• Pages of publication: 12511 - 12514
• a: 6.5952 ± 0.0003 Å
• b: 8.1944 ± 0.0003 Å
• c: 34.4405 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1861.29 ± 0.12 ų
• Cell temperature: 294.2 ± 0.2 K
• Ambient diffraction temperature: 294.2 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No