Information card for entry 2007808

Structure parameters

• Common name: (+)-3-epimacronine
• Chemical name: (+)-(3S,4aS,6aR,13bS)-3-methoxy-5-methyl-3,4,4a,5,6,6a-hexahydro-[1,3]dioxolo[6, 7][2]benzopyrano[3,4-c]indol-8-one
• Formula: C18 H19.132 N O5.066
• Calculated formula: C18 H19.132 N O5.066
• Title of publication: <i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K
• Authors of publication: Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1653 - 1659
• a: 8.176 ± 0.002 Å
• b: 17.666 ± 0.002 Å
• c: 11.0743 ± 0.0009 Å
• α: 90°
• β: 95.054 ± 0.009°
• γ: 90°
• Cell volume: 1593.3 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No