Information card for entry 2001413

Structure parameters

• Formula: C21 H25 N O4
• Calculated formula: C21 H25 N O4
• SMILES: O(c1cc2c(cc1OC)CCN1Cc3c(OC)c(OC)ccc3CC21)C
• Title of publication: Structure of (±)-tetrahydropalmatine
• Authors of publication: Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Simonov, Y. A.; Kravtsov, V. Kh.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1691 - 1693
• a: 29.817 ± 0.012 Å
• b: 17.001 ± 0.007 Å
• c: 7.279 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3690 ± 3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 3.85
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No