Information card for entry 4131715

Structure parameters

• Formula: C23 H31 N O7
• Calculated formula: C23 H31 N O7
• SMILES: C1[C@H]([C@H]2C[C@@H]3[C@]4([C@@](C(=O)N13)(CCC1=CC(=O)[C@H]3[C@@H]1[C@@]4(CC3)C2=O)C(=O)OC)C)C.O.O
• 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: 10.8118 ± 0.0005 Å
• b: 8.8697 ± 0.0004 Å
• c: 11.4025 ± 0.0005 Å
• α: 90°
• β: 104.619 ± 0.002°
• γ: 90°
• Cell volume: 1058.07 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No