Information card for entry 1502806

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• SMILES: O(c1cc2CCN3[C@H](c2cc1OC)Cc1cc(O)c(OC)cc1C3)C
• Title of publication: Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine.
• Authors of publication: Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E.
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1427 - 1430
• a: 7.2621 ± 0.0012 Å
• b: 8.0445 ± 0.0013 Å
• c: 28.318 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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 all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No