Information card for entry 1517501

Structure parameters

• Formula: C19 H24 Cl N O
• Calculated formula: C19 H24 Cl N O
• Title of publication: Activation of alcohols with carbon dioxide: intermolecular allylation of weakly acidic pronucleophiles.
• Authors of publication: Lang, Simon B.; Locascio, Theresa M.; Tunge, Jon A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4308 - 4311
• a: 26.96214 ± 0.00019 Å
• b: 12.68483 ± 0.0001 Å
• c: 21.88641 ± 0.00018 Å
• α: 90.4219 ± 0.0006°
• β: 104.544 ± 0.0004°
• γ: 89.797 ± 0.0004°
• Cell volume: 7245.32 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No