Information card for entry 7233474

Structure parameters

• Formula: C22 H22 Cl N O5
• Calculated formula: C22 H22 Cl N O5
• Title of publication: Hydrochromism behaviors of solid forms of chelerythrine hydrochloride
• Authors of publication: Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 39
• Pages of publication: 5915
• a: 13.2953 ± 0.0004 Å
• b: 8.1752 ± 0.0003 Å
• c: 17.7914 ± 0.0006 Å
• α: 90°
• β: 96.999 ± 0.002°
• γ: 90°
• Cell volume: 1919.37 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9605
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No