Information card for entry 7150692

Structure parameters

• Formula: C20 H26 N4 O6
• Calculated formula: C20 H26 N4 O6
• SMILES: O(C(=O)[C@]12C(=N\Nc3c(N(=O)=O)cc(N(=O)=O)cc3)\CC[C@H]([C@@]2(CC[C@H]1C)C)C)C.O(C(=O)[C@@]12C(=N\Nc3c(N(=O)=O)cc(N(=O)=O)cc3)\CC[C@@H]([C@]2(CC[C@@H]1C)C)C)C
• Title of publication: A concise total synthesis of (±)-acutifolone A
• Authors of publication: Hsieh, Ming-Tsang; Liu, Hsing-Jang; Ly, Tai Wei; Shia, Kak-Shan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3285 - 3290
• a: 10.3756 ± 0.0006 Å
• b: 12.6325 ± 0.0007 Å
• c: 16.2827 ± 0.0009 Å
• α: 90°
• β: 105.358 ± 0.001°
• γ: 90°
• Cell volume: 2058 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No