Information card for entry 4131712

Structure parameters

• Formula: C18 H23 N O4
• Calculated formula: C18 H23 N O4
• SMILES: N12CC(=C)[C@@H]3C(=O)[C@H]4[C@@]([C@H]1C3)([C@@](C2=O)(CCCC4)C(=O)OC)C.N12CC(=C)[C@H]3C(=O)[C@@H]4[C@]([C@@H]1C3)([C@](C2=O)(CCCC4)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: 10.792 ± 0.0011 Å
• b: 10.7448 ± 0.0011 Å
• c: 27.763 ± 0.003 Å
• α: 90°
• β: 98.65 ± 0.002°
• γ: 90°
• Cell volume: 3182.7 ± 0.6 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: 0.0882
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No