Information card for entry 7151129

Structure parameters

• Formula: C12 H24 N3 O3.5
• Calculated formula: C12 H24 N3 O3.5
• Title of publication: Short and efficient diastereoselective synthesis of pyrrolidinone-containing dipeptide analogues.
• Authors of publication: Hosseini, Masood; Grau, Jakob S.; Sørensen, Kasper K; Søtofte, Inger; Tanner, David; Murray, Anthony; Tønder, Janne E
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 2207 - 2210
• a: 12.9386 ± 0.0008 Å
• b: 12.9386 ± 0.0008 Å
• c: 8.5628 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1433.48 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1077
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No