Information card for entry 7240467

Structure parameters

• Formula: C20 H20 Cl N3 O2
• Calculated formula: C20 H20 Cl N3 O2
• 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: 6.9435 ± 0.0003 Å
• b: 21.8674 ± 0.0009 Å
• c: 11.8018 ± 0.0005 Å
• α: 90°
• β: 99.86 ± 0.001°
• γ: 90°
• Cell volume: 1765.47 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No