Information card for entry 1567072

Structure parameters

• Formula: C18 H17 N5 O5
• Calculated formula: C18 H17 N5 O5
• Title of publication: Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids
• Authors of publication: Zhang, Dequan; Wen, Jialin; Zhang, Xumu
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7215 - 7223
• a: 7.1241 ± 0.0005 Å
• b: 34.022 ± 0.002 Å
• c: 7.3539 ± 0.0005 Å
• α: 90°
• β: 90.288 ± 0.004°
• γ: 90°
• Cell volume: 1782.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No