Information card for entry 7210548

Structure parameters

• Common name: Olanzapine-Maleic acid 1:2
• Formula: C25 H28 N4 O8 S
• Calculated formula: C25 H28 N4 O8 S
• SMILES: c12c(cccc1)Nc1c(C(=[NH+]2)N2CC[NH+](CC2)C)cc(C)s1.C(=O)(/C=C\C(=O)O)[O-].C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: Highly soluble olanzapinium maleate crystalline salts
• Authors of publication: Thakuria, Ranjit; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1759
• a: 8.518 ± 0.003 Å
• b: 9.804 ± 0.004 Å
• c: 16.21 ± 0.006 Å
• α: 95.956 ± 0.007°
• β: 97.945 ± 0.007°
• γ: 107.789 ± 0.007°
• Cell volume: 1261.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1167
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No