Information card for entry 1516496

Structure parameters

• Formula: C26 H13 N5 O9
• Calculated formula: C26 H28 N5 O9
• SMILES: c1(cc(ccc1N=N[C@@H](C)CC[C@H]1[C@]2(C[C@@H](C[C@]1(C)OC2)OC(=O)c1ccc(cc1)N(=O)=O)C)N(=O)=O)N(=O)=O.c1(cc(ccc1N=N[C@H](C)CC[C@@H]1[C@@]2(C[C@H](C[C@@]1(C)CO2)OC(=O)c1ccc(cc1)N(=O)=O)C)N(=O)=O)N(=O)=O
• Title of publication: First total syntheses of (±)-annuionone B and (±)-tanarifuranonol
• Authors of publication: Shiao, Hui-Yi; Hsieh, Hsing-Pang; Liao, Chun-Chen
• Journal of publication: Organic Letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 449 - 452
• a: 12.316 ± 0.005 Å
• b: 12.554 ± 0.005 Å
• c: 17.588 ± 0.007 Å
• α: 98.282 ± 0.005°
• β: 94.186 ± 0.005°
• γ: 97.013 ± 0.005°
• Cell volume: 2659.5 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2462
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1504511
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No