Information card for entry 4508818

Structure parameters

• Formula: C46 H44 Br2 N2 O4
• Calculated formula: C46 H44 Br2 N2 O4
• Title of publication: Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures
• Authors of publication: Trivedi, Darshak R.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2114
• a: 22.4126 ± 0.0017 Å
• b: 16.699 ± 0.0013 Å
• c: 10.7237 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4013.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No