Information card for entry 4506721

Structure parameters

• Formula: C22 H32 N4 O6
• Calculated formula: C22 H32 N4 O6
• Title of publication: Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound
• Authors of publication: Prohens, Rafel; Portell, Anna; Alcob Xavier
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4548
• a: 12.9142 ± 0.0005 Å
• b: 13.4373 ± 0.0002 Å
• c: 6.8287 ± 0.00013 Å
• α: 90°
• β: 96.9271 ± 0.0017°
• γ: 90°
• Cell volume: 1176.35 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 3.3887
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54175 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No