Information card for entry 7230336

Structure parameters

• Formula: C20 H26 Cl N O8
• Calculated formula: C20 H26 Cl N O8
• Title of publication: Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals
• Authors of publication: Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 2253
• a: 6.8909 ± 0.0004 Å
• b: 11.4787 ± 0.0006 Å
• c: 13.1419 ± 0.0007 Å
• α: 76.205 ± 0.004°
• β: 89.221 ± 0.004°
• γ: 85.231 ± 0.004°
• Cell volume: 1006.01 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No