Information card for entry 1507352

Structure parameters

• Formula: C16 H21 N O
• Calculated formula: C15.999 H20.998 N O
• Title of publication: Studies of intramolecular cyclizations of N-acyliminium ions derived from acyclic ketones: unanticipated stereochemical and structural results.
• Authors of publication: Chao, Wenchun; Waldman, Jacob H.; Weinreb, Steven M.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2915 - 2918
• a: 10.1195 ± 0.0005 Å
• b: 14.1443 ± 0.0007 Å
• c: 19.3863 ± 0.001 Å
• α: 82.979 ± 0.003°
• β: 84.235 ± 0.003°
• γ: 88.777 ± 0.003°
• Cell volume: 2740 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No