Information card for entry 7213302

Structure parameters

• Formula: C13 H22 N2 O4
• Calculated formula: C13 H22 N2 O4
• Title of publication: Stereoselectivity in the synthesis of conformationally constrained vicinally dihydroxylated cyclic α-amino acids
• Authors of publication: Hammer, Kristin; Wang, Jing; Falck-Pedersen, Mette Lene; Rømming, Christian; Undheim, Kjell
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1691
• a: 12.6541 ± 0.0002 Å
• b: 12.6541 ± 0.0002 Å
• c: 9.2145 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.48 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No