Information card for entry 4032773

Structure parameters

• Formula: C19 H23 N O2
• Calculated formula: C19 H23 N O2
• SMILES: O(c1ccc(cc1O)CC[C@@H]1N(C)c2ccccc2CC1)C
• Title of publication: Structural Revision of the Hancock Alkaloid (-)-Galipeine.
• Authors of publication: Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Thomson, James E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10673 - 10679
• a: 6.61954 ± 0.00008 Å
• b: 13.75433 ± 0.00017 Å
• c: 16.9835 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.3 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0308
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0246
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No