Information card for entry 7240470

Structure parameters

• Formula: C19 H20 Cl N3 O3
• Calculated formula: C19 H20 Cl N3 O3
• Title of publication: Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts
• Authors of publication: Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.03 ± 0.0013 Å
• b: 22.083 ± 0.004 Å
• c: 11.555 ± 0.002 Å
• α: 90°
• β: 97.563 ± 0.006°
• γ: 90°
• Cell volume: 1778.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1794
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No