Information card for entry 1546317

Structure parameters

• Formula: C26 H34 Cl N O5 S
• Calculated formula: C26 H34 Cl N O5 S
• Title of publication: A Two-Directional Synthesis of (+)-β-Isosparteine.
• Authors of publication: Al-Saffar, Firas M; Brown, Richard C. D.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3502 - 3504
• a: 29.348 ± 0.0019 Å
• b: 29.348 ± 0.0019 Å
• c: 5.4131 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4037.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.2199
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No