Information card for entry 7246493

Structure parameters

• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• Title of publication: Synthesis of renewable isoindolines from bio-based furfurals
• Authors of publication: Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 3297 - 3305
• a: 8.6581 ± 0.0015 Å
• b: 12.1447 ± 0.0018 Å
• c: 22.107 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2324.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No