Information card for entry 1508289

Structure parameters

• Formula: C33 H37 N3 O4
• Calculated formula: C33 H37 N3 O4
• SMILES: [C@@H]1(CC[C@@]2(C(=O)CC2)C[C@@H]1[C@@H]([C@H](Cc1ccc(cc1)OC)N=N#N)OCc1ccccc1)OCc1ccccc1
• Title of publication: Total synthesis of (-)-FR901483.
• Authors of publication: Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3604 - 3607
• a: 8.798 ± 0.002 Å
• b: 11.027 ± 0.003 Å
• c: 30.298 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2939.4 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No