Information card for entry 4508045

Structure parameters

• Chemical name: Olanzapine ethanol monohydrate
• Formula: C18 H22 N4 O1.5 S
• Calculated formula: C18 H22 N4 O1.5 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: 24.541 ± 0.007 Å
• b: 12.459 ± 0.003 Å
• c: 15.178 ± 0.004 Å
• α: 90°
• β: 125.485 ± 0.004°
• γ: 90°
• Cell volume: 3778.8 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No