Information card for entry 7156748

Structure parameters

• Formula: C35 H29 Br N2 O5
• Calculated formula: C35 H29 Br N2 O5
• Title of publication: Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.
• Authors of publication: Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3945 - 3950
• a: 19.3581 ± 0.0002 Å
• b: 25.0827 ± 0.0003 Å
• c: 6.72 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3262.92 ± 0.07 ų
• Cell temperature: 118.4 ± 0.8 K
• Ambient diffraction temperature: 118.4 ± 0.8 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No