Information card for entry 4513449

Structure parameters

• Formula: C33 H38 N4 O6 S
• Calculated formula: C33 H38 N4 O6 S
• Title of publication: Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations
• Authors of publication: Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4162
• a: 7.6482 ± 0.0014 Å
• b: 13.398 ± 0.003 Å
• c: 16.798 ± 0.003 Å
• α: 78.765 ± 0.008°
• β: 86.517 ± 0.008°
• γ: 75.06 ± 0.009°
• Cell volume: 1631.1 ± 0.6 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 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: 0.1904
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No