Information card for entry 7156833

Structure parameters

• Formula: C96 H104 N8 O24
• Calculated formula: C96 H104 N8 O24
• Title of publication: Base-promoted regiodivergent allylation of N-acylhydrazones with Morita-Baylis-Hillman carbonates by tuning the catalyst.
• Authors of publication: Sun, Fang; Yin, Tingrui; Feng, Anni; Hu, Yong; Yu, Chenxia; Li, Tuanjie; Yao, Changsheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5283 - 5293
• a: 11.164 ± 0.012 Å
• b: 12.003 ± 0.013 Å
• c: 17.508 ± 0.018 Å
• α: 90°
• β: 99.033 ± 0.013°
• γ: 90°
• Cell volume: 2317 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No