Information card for entry 4131716

Structure parameters

• Formula: C23 H27 N O7
• Calculated formula: C23 H27 N O7
• SMILES: O=C1N2C[C@H]([C@H]3C[C@@H]2[C@]2([C@@]1(CCC(=O)[C@@H]1C2=C3OC(=C\C(=O)OC)\C1)C(=O)OC)C)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: 9.4222 ± 0.0006 Å
• b: 7.4529 ± 0.0005 Å
• c: 15.4791 ± 0.0012 Å
• α: 90°
• β: 107.689 ± 0.002°
• γ: 90°
• Cell volume: 1035.59 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No