Information card for entry 4508043

Structure parameters

• Chemical name: Olanzapinium salicylate benzene
• Formula: C33 H35 N4 O3 S
• Calculated formula: C33 H35 N4 O3 S
• Title of publication: Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties
• Authors of publication: Thakuria, Ranjit; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3672
• a: 9.27 ± 0.004 Å
• b: 10.539 ± 0.005 Å
• c: 15.713 ± 0.007 Å
• α: 102.808 ± 0.007°
• β: 104.176 ± 0.008°
• γ: 95.93 ± 0.008°
• Cell volume: 1431 ± 1.1 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: 0.123
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No