Information card for entry 2108677

Structure parameters

• Formula: C46 H54.5 F2 N6 O17.25
• Calculated formula: C46 H54.5 F2 N6 O17.25
• Title of publication: Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
• Authors of publication: Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• a: 30.3989 ± 0.0002 Å
• b: 16.1024 ± 0.00015 Å
• c: 9.66944 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4733.14 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes