Information card for entry 1506928

Structure parameters

• Formula: C18 H24 N O3
• Calculated formula: C18 H24 N O3
• Title of publication: Using nucleophilic substitution reactions to understand how a remote alkyl or alkoxy substituent influences the conformation of eight-membered ring oxocarbenium ions.
• Authors of publication: Chamberland, Stephen; Woerpel, K. A.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 25
• Pages of publication: 4739 - 4741
• a: 5.2748 ± 0.0003 Å
• b: 10.1002 ± 0.0006 Å
• c: 15.4153 ± 0.0009 Å
• α: 94.272 ± 0.001°
• β: 94.662 ± 0.001°
• γ: 95.663 ± 0.001°
• Cell volume: 811.74 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No