Information card for entry 7239811

Structure parameters

• Formula: C22 H24 N6 O2 S
• Calculated formula: C22 H24 N6 O2 S
• Title of publication: Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine
• Authors of publication: Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1120 - 1130
• a: 9.1672 ± 0.0004 Å
• b: 9.2117 ± 0.0005 Å
• c: 14.89 ± 0.0008 Å
• α: 86.026 ± 0.003°
• β: 72.591 ± 0.002°
• γ: 65.538 ± 0.002°
• Cell volume: 1089.94 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No