Information card for entry 7150085

Structure parameters

• Formula: C41 H43 N O5
• Calculated formula: C41 H43 N O5
• SMILES: O[C@]1([C@@H](NCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)COCc1ccccc1
• Title of publication: Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine.
• Authors of publication: Masson, Géraldine; Philouze, Christian; Py, Sandrine
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 2067 - 2069
• a: 5.225 ± 0.002 Å
• b: 15.283 ± 0.009 Å
• c: 43.03 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3436 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections: 1.839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No