Information card for entry 4131714

Structure parameters

• Formula: C18 H25 N O4
• Calculated formula: C18 H25 N O4
• SMILES: [C@H]12[C@]3([C@]4(C(=O)N2C[C@H]([C@@H](C1)C(=O)[C@@H]3CCCC4)C)C(=O)OC)C
• Title of publication: Total Synthesis of Longeracinphyllin A.
• Authors of publication: Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 42
• Pages of publication: 14893 - 14896
• a: 7.1734 ± 0.0004 Å
• b: 14.6205 ± 0.0009 Å
• c: 15.2005 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594.21 ± 0.16 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: 0.0307
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No