Information card for entry 7232468

Structure parameters

• Formula: C13 H17 N2 O3
• Calculated formula: C13 H17 N2 O3
• Title of publication: An organocatalytic hydroalkoxylation/Claisen rearrangement/Michael addition tandem sequence: divergent synthesis of multi-substituted 2,3-dihydrofurans and 2,3-dihydropyrroles from cyanohydrins
• Authors of publication: Sun, Zhen; Li, Zheng; Liao, Wei-Wei
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1614
• a: 9.9995 ± 0.0003 Å
• b: 10.3691 ± 0.0003 Å
• c: 12.6092 ± 0.0003 Å
• α: 90°
• β: 101.192 ± 0.001°
• γ: 90°
• Cell volume: 1282.53 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No