Information card for entry 3500019

Structure parameters

• Chemical name: Benzenemethanaminium, N,N,N-trimethyl-, chloride (1:1)
• Formula: C10 H16 Cl N
• Calculated formula: C10 H16 Cl N
• Title of publication: N,N,N-trimethyl-1-phenylmethanaminium chloride
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2019
• a: 17.8999 ± 0.0005 Å
• b: 6.6415 ± 0.0002 Å
• c: 18.0718 ± 0.0005 Å
• α: 90°
• β: 99.2688 ± 0.0012°
• γ: 90°
• Cell volume: 2120.36 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes