Information card for entry 4026155

Structure parameters

• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• SMILES: O1[C@@H]2[C@@]3(C=C[C@H](O)C2)c2c1c(O)ccc2CCN(CC3)C
• Title of publication: Synthesis of (-)-Homogalanthamine from Naltrexone
• Authors of publication: Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2257 - 2260
• a: 8.94134 ± 0.00017 Å
• b: 9.9466 ± 0.0002 Å
• c: 16.0925 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.2 ± 0.05 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No