Information card for entry 4024883

Structure parameters

• Formula: C17 H18 N2 O3
• Calculated formula: C17 H18 N2 O3
• SMILES: OC1=C(CN2CC1c1[nH]c3ccccc3c1CC2)C(=O)OC
• Title of publication: Protecting-Group-Free Total Synthesis of (\±)-Subincanadine F
• Authors of publication: Pinhong Chen; Lidong Cao; Chaozhong Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7533 - 7535
• a: 13.4214 ± 0.0014 Å
• b: 13.9761 ± 0.0014 Å
• c: 15.4338 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2895.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No