Information card for entry 4131719

Structure parameters

• Formula: C23 H27 N O7
• Calculated formula: C23 H27 N O7
• SMILES: [C@H]1(CN2C(=O)[C@]3(CCC(=O)[C@@H]4C(=CC[C@]54C(=O)[C@@H]1C[C@@H]2[C@@]35C)C(=O)OC)C(=O)OC)C.[C@@H]1(CN2C(=O)[C@@]3(CCC(=O)[C@H]4C(=CC[C@@]54C(=O)[C@H]1C[C@H]2[C@]35C)C(=O)OC)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: 10.9607 ± 0.0005 Å
• b: 6.5772 ± 0.0003 Å
• c: 29.7316 ± 0.0012 Å
• α: 90°
• β: 110.131 ± 0.002°
• γ: 90°
• Cell volume: 2012.43 ± 0.16 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: 0.0527
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No