Information card for entry 2001719

Structure parameters

• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: COC1=C[C@]23CCN([C@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C
• Title of publication: Structure of sinoacutine
• Authors of publication: Ribár, B.; Kapor, A.; Gašić, O.; Kanyó, I.; Engel, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 978 - 980
• a: 10.745 ± 0.005 Å
• b: 11.435 ± 0.005 Å
• c: 13.003 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1597.7 ± 1.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 0.968
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No