Information card for entry 1513073

Structure parameters

• Formula: C30 H27 N4 O8
• Calculated formula: C30 H27 N4 O8
• Title of publication: Optical properties of substituted piperidine containing natural quinolizidine-alkaloids – theoretical vs. experimental study
• Authors of publication: Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Natural Products Research
• Year of publication: 2013
• a: 4.93 ± 0.002 Å
• b: 34.514 ± 0.015 Å
• c: 8.152 ± 0.004 Å
• α: 90°
• β: 105 ± 0.013°
• γ: 90°
• Cell volume: 1339.8 ± 1 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.222
• Residual factor for significantly intense reflections: 0.1809
• Weighted residual factors for significantly intense reflections: 0.3886
• Weighted residual factors for all reflections included in the refinement: 0.4
• Goodness-of-fit parameter for all reflections included in the refinement: 2.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No