Information card for entry 7123568

Structure parameters

• Formula: C38 H34 N2 O5
• Calculated formula: C38 H34 N2 O5
• Title of publication: Bicyclization reaction with two molecular allenyl ketones and isocyanides: a synthesis of lactone-containing azaspirocycle derivative
• Authors of publication: Li, Jian; Yuan, Hongdong; Tang, Chongrong; Su, Shikuan; Cui, Lei; Jia, Xueshun; Li, Chunju
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.1019 ± 0.0012 Å
• b: 25.379 ± 0.003 Å
• c: 12.279 ± 0.0013 Å
• α: 90°
• β: 92.347 ± 0.009°
• γ: 90°
• Cell volume: 3145.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No