Information card for entry 7248016

Structure parameters

• Formula: C12 H21 N O5
• Calculated formula: C12 H21 N O5
• Title of publication: Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing
• Authors of publication: Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 2673 - 2683
• a: 6.3761 ± 0.0008 Å
• b: 9.9644 ± 0.0012 Å
• c: 22.622 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1437.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No