Information card for entry 2216186

Structure parameters

• Chemical name: 4-Hydroxyimino-2-phenylperhydroquinolinium chloride hemihydrate
• Formula: C15 H22 Cl N2 O1.5
• Calculated formula: C15 H22.001 Cl N2 O1.5005
• Title of publication: 4-Hydroxyimino-2-phenylperhydroquinolinium chloride hemihydrate
• Authors of publication: Thiruvalluvar, A.; Natarajan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4431 - o4431
• a: 13.1733 ± 0.0004 Å
• b: 18.2824 ± 0.0005 Å
• c: 12.6656 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3050.38 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes