Information card for entry 4003244

Structure parameters

• Formula: C392 H512 F12 N32 O62
• Calculated formula: C392 H512 F12 N32 O62
• Title of publication: Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures
• Authors of publication: Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 4341
• a: 32.65 ± 0.006 Å
• b: 9.5 ± 0.0019 Å
• c: 35.77 ± 0.007 Å
• α: 90°
• β: 108.44 ± 0.03°
• γ: 90°
• Cell volume: 10525 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.3159
• Weighted residual factors for all reflections included in the refinement: 0.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.714
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No