Information card for entry 2203641

Structure parameters

• Chemical name: 2-Methoxy-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
• Formula: C12 H17 N O
• Calculated formula: C12 H17 N O
• SMILES: n1c(OC)cc(c2CCCCCc12)C
• Title of publication: 2-Methoxy-4-methyl-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine
• Authors of publication: Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Ivan V. Fedyanin; Leonid A. Aslanov
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o892 - o893
• a: 8.762 ± 0.002 Å
• b: 14.937 ± 0.004 Å
• c: 8.542 ± 0.007 Å
• α: 90°
• β: 109.659 ± 0.006°
• γ: 90°
• Cell volume: 1052.8 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No