Information card for entry 4506719

Structure parameters

• Formula: C34 H48 N4 O12
• Calculated formula: C34 H48 N4 O12
• 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: 7.048 ± 0.00006 Å
• b: 9.32696 ± 0.00015 Å
• c: 14.50037 ± 0.00019 Å
• α: 76.7937 ± 0.0009°
• β: 81.7078 ± 0.0007°
• γ: 77.438 ± 0.0006°
• Cell volume: 901.29 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor R(I) for significantly intense reflections: 3.7491
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54175 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No