Information card for entry 1508933

Structure parameters

• Formula: C9 H12 N2 O4
• Calculated formula: C9 H12 N2 O4
• SMILES: O(C(=O)NC(=O)C1=CCCN(C1=O)C)C
• Title of publication: Catalytic Asymmetric [4 + 2] Cycloadditions and Hosomi-Sakurai Reactions of α-Alkylidene β-Keto Imides.
• Authors of publication: Orimoto, Kohei; Oyama, Harufumi; Namera, Yuki; Niwa, Takashi; Nakada, Masahisa
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 768 - 771
• a: 7.7215 ± 0.0003 Å
• b: 7.90305 ± 0.00019 Å
• c: 16.5104 ± 0.0004 Å
• α: 90°
• β: 101.898 ± 0.0016°
• γ: 90°
• Cell volume: 985.87 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No