Information card for entry 1502805

Structure parameters

• Formula: C20 H28 Cl N O6
• Calculated formula: C20 H28 Cl N O6
• SMILES: [Cl-].O(c1cc2CC[NH+]3[C@H](c2cc1OC)Cc1ccc(OC)c(O)c1C3)C.O.O
• 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: 11.197 ± 0.006 Å
• b: 7.218 ± 0.004 Å
• c: 12.421 ± 0.007 Å
• α: 90°
• β: 99.841 ± 0.011°
• γ: 90°
• Cell volume: 989.1 ± 0.9 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2503
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No