Information card for entry 4026043

Structure parameters

• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• Title of publication: Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides
• Authors of publication: Shin Ando; Amy L. Grote; Kazunori Koide
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1155 - 1158
• a: 14.326 ± 0.004 Å
• b: 15.14 ± 0.004 Å
• c: 24.246 ± 0.006 Å
• α: 90°
• β: 91.927 ± 0.005°
• γ: 90°
• Cell volume: 5256 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No