Information card for entry 1514261

Structure parameters

• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: C12([C@@]34[C@H](C[C@@H](C1)C)CC1([C@H]4CC=CC3)OCCO1)OCCO2.C12(C[C@@H](C[C@@H]3[C@@]41CC=CC[C@H]4C1(C3)OCCO1)C)OCCO2
• Title of publication: Stereocontrolled total syntheses of (±)-fawcettimine, (±)-lycoflexine, and (±)-lycoflexine N-oxide
• Authors of publication: Xu, Ke; Cheng, Bin; Li, Yun; Xu, Tingting; Yu, Cunming; Zhang, Jun; Ma, Zhiqiang; Zhai, Hongbin
• Journal of publication: Organic Letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 196 - 199
• a: 8.326 ± 0.007 Å
• b: 8.643 ± 0.007 Å
• c: 25.63 ± 0.02 Å
• α: 81.878 ± 0.007°
• β: 87.849 ± 0.007°
• γ: 61.655 ± 0.007°
• Cell volume: 1606 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1513543
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No