Information card for entry 7239814

Structure parameters

• Formula: C28 H32 N4 O9 S
• Calculated formula: C28 H32 N4 O9 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: 9.9166 ± 0.001 Å
• b: 13.3673 ± 0.0014 Å
• c: 23.035 ± 0.002 Å
• α: 90°
• β: 97.163 ± 0.005°
• γ: 90°
• Cell volume: 3029.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.2804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No