Information card for entry 7240469

Structure parameters

• Formula: C19 H16 Cl N3 O
• Calculated formula: C19 H16 Cl N3 O
• 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: 14.8763 ± 0.0011 Å
• b: 7.2318 ± 0.0005 Å
• c: 14.9535 ± 0.0011 Å
• α: 90°
• β: 102.805 ± 0.002°
• γ: 90°
• Cell volume: 1568.7 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No