Information card for entry 7112937

Structure parameters

• Formula: C19 H20 N2 O5
• Calculated formula: C19 H20 N2 O5
• SMILES: O=C1CCN2C[C@]1(c1[nH]c3c(c1C[C@H]2C(=O)OC)cccc3)C(=O)OC
• Title of publication: Total synthesis and absolute configuration determination of (+)-subincanadine F.
• Authors of publication: Chen, Pinhong; Cao, Lidong; Tian, Wenhai; Wang, Xinfeng; Li, Chaozhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 8436 - 8438
• a: 7.8077 ± 0.0009 Å
• b: 10.4954 ± 0.0012 Å
• c: 21.518 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No