Information card for entry 2001867

Structure parameters

• Formula: C21 H21 N O6
• Calculated formula: C21 H21 N O6
• SMILES: COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2
• Title of publication: Structure of (‒)-β-hydrastine
• Authors of publication: Rajnikant; Goswami, K. N.; Yadava, V. S.; Padmanabhan, V. M.; Banerjee, S. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 504 - 506
• a: 7.542 ± 0.002 Å
• b: 7.542 ± 0.002 Å
• c: 33.266 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.2 ± 0.7 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 43
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No