Information card for entry 1503502

Structure parameters

• Formula: C24 H23 N O2
• Calculated formula: C24 H23 N O2
• SMILES: c1(ccccc1)N(C(C)C)C(=O)O/C(=C\c1ccccc1)c1ccccc1
• Title of publication: Tertiary alcohols by tandem β-carbolithiation and N→C aryl migration in enol carbamates.
• Authors of publication: Fournier, Anne M.; Clayden, Jonathan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 142 - 145
• a: 9.9252 ± 0.0018 Å
• b: 10.0516 ± 0.0018 Å
• c: 11.659 ± 0.002 Å
• α: 67.709 ± 0.003°
• β: 69.292 ± 0.003°
• γ: 66.289 ± 0.003°
• Cell volume: 957.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No