Information card for entry 4118430

Structure parameters

• Formula: C17 H27 N O3
• Calculated formula: C17 H27 N O3
• SMILES: O=C1[C@]23CCCN(CCC1)[C@@H]2C[C@H](C[C@@H]3CC(=O)OC)C.O=C1[C@@]23CCCN(CCC1)[C@H]2C[C@@H](C[C@H]3CC(=O)OC)C
• Title of publication: Protecting Group-Free Total Synthesis of (-)-Lannotinidine B
• Authors of publication: Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12323 - 12325
• a: 9.1958 ± 0.0007 Å
• b: 13.9189 ± 0.0011 Å
• c: 12.6004 ± 0.001 Å
• α: 90°
• β: 104.126 ± 0.001°
• γ: 90°
• Cell volume: 1564 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No