Information card for entry 7112936

Structure parameters

• Formula: C18 H18 N2 O5
• Calculated formula: C18 H18 N2 O5
• 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: 11.549 ± 0.002 Å
• b: 14.458 ± 0.003 Å
• c: 9.7091 ± 0.0017 Å
• α: 90°
• β: 100.904 ± 0.003°
• γ: 90°
• Cell volume: 1591.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No