Information card for entry 1507353

Structure parameters

• Formula: C15 H19 N O
• Calculated formula: C15 H18 N O
• SMILES: N1=C(O[C@H]2[C@H]([C@@]1(CCC2)C)C)c1ccccc1
• 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: 9.661 ± 0.006 Å
• b: 10.475 ± 0.007 Å
• c: 12.72 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287.3 ± 1.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No