Information card for entry 7157120

Structure parameters

• Formula: C36 H49 N O6 S
• Calculated formula: C36 H49 N O6 S
• Title of publication: The synthesis of solasodine F-homo-analogues.
• Authors of publication: Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 40
• Pages of publication: 9050 - 9058
• a: 6.41147 ± 0.00005 Å
• b: 9.65864 ± 0.00005 Å
• c: 26.39665 ± 0.00013 Å
• α: 90°
• β: 91.6151 ± 0.0006°
• γ: 90°
• Cell volume: 1633.99 ± 0.017 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No