Information card for entry 4506414

Structure parameters

• Formula: C20 H27 N2 O6.5
• Calculated formula: C20 H27 N2 O6.5
• Title of publication: On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.
• Authors of publication: Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2012
• Journal volume: 28
• Journal issue: 25
• Pages of publication: 9797 - 9806
• a: 25.003 ± 0.002 Å
• b: 6.839 ± 0.0006 Å
• c: 12.071 ± 0.0012 Å
• α: 90°
• β: 94.207 ± 0.003°
• γ: 90°
• Cell volume: 2058.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No