Information card for entry 4020099

Structure parameters

• Formula: C16 H18 Cl N O
• Calculated formula: C16 H18 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: 8.664 ± 0.0016 Å
• b: 9.292 ± 0.0017 Å
• c: 9.9179 ± 0.0019 Å
• α: 104.905 ± 0.003°
• β: 103.761 ± 0.003°
• γ: 101.298 ± 0.003°
• Cell volume: 720.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No