Information card for entry 7156328

Structure parameters

• Formula: C26 H25 N3 O5
• Calculated formula: C26 H25 N3 O5
• Title of publication: (-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.
• Authors of publication: Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 5823 - 5832
• a: 7.1313 ± 0.0016 Å
• b: 8.764 ± 0.002 Å
• c: 17.546 ± 0.004 Å
• α: 90°
• β: 91.71 ± 0.005°
• γ: 90°
• Cell volume: 1096.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No