Information card for entry 3500132

Structure parameters

• Common name: Diphenhydramine hydrochloride
• Chemical name: N-(2-Diphenylmethoxyethyl)-N,N-dimethylamine hydrochloride
• Formula: C17 H22 Cl N O
• Calculated formula: C17 H22 Cl N O
• Title of publication: Diphenhydramine hydrochloride - Refinement using Spherical Atom-form-factors
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2022
• a: 10.7451 ± 0.0005 Å
• b: 14.031 ± 0.0006 Å
• c: 10.4824 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.37 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes