Information card for entry 4020098

Structure parameters

• Formula: C14 H22 Cl N O
• Calculated formula: C14 H22 Cl N O
• Authors of publication: Shengming Ma; Bin Wu; Xuefeng Jiang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2588 - 2593
• a: 28.868 ± 0.013 Å
• b: 7.868 ± 0.003 Å
• c: 6.302 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No