Information card for entry 4503630

Structure parameters

• Formula: C26 H23 F3 N4 O4 S
• Calculated formula: C26 H23 F3 N4 O4 S
• Title of publication: Physicochemical Properties of Pharmaceutical Co-Crystals: A Case Study of Ten AMG 517 Co-Crystals
• Authors of publication: Stanton, Mary K.; Bak, Annette
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3856
• a: 62.498 ± 0.018 Å
• b: 8.116 ± 0.002 Å
• c: 19.87 ± 0.006 Å
• α: 90°
• β: 94.141 ± 0.009°
• γ: 90°
• Cell volume: 10052 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No