Information card for entry 4026805

Structure parameters

• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• SMILES: C1(=O)C(=C2[C@@]3(C1)CC[C@@H](C=C)N3C(=O)CCC2)C.C1(=O)C(=C2[C@]3(C1)CC[C@H](C=C)N3C(=O)CCC2)C
• Title of publication: Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine
• Authors of publication: Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 10173 - 10186
• a: 7.425 ± 0.003 Å
• b: 8.152 ± 0.004 Å
• c: 11.99 ± 0.005 Å
• α: 78.823 ± 0.007°
• β: 79.424 ± 0.006°
• γ: 66.947 ± 0.006°
• Cell volume: 650.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No