Information card for entry 1507355

Structure parameters

• Formula: C9 H14 N O2
• Calculated formula: C9 H14 N O2.01
• 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: 12.3234 ± 0.0008 Å
• b: 13.4734 ± 0.0009 Å
• c: 11.9184 ± 0.0008 Å
• α: 90°
• β: 113.252 ± 0.001°
• γ: 90°
• Cell volume: 1818.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2856
• Weighted residual factors for all reflections included in the refinement: 0.2955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No