Information card for entry 4509916

Structure parameters

• Formula: C30 H28 Cl2 N6 O11 S2
• Calculated formula: C30 H27.976 Cl2 N6 O11 S2
• Title of publication: Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties
• Authors of publication: Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 783
• a: 5.0178 ± 0.0011 Å
• b: 38.527 ± 0.008 Å
• c: 17.031 ± 0.004 Å
• α: 90°
• β: 94.353 ± 0.003°
• γ: 90°
• Cell volume: 3282.9 ± 1.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections: 0.1369
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No