Information card for entry 1558981

Structure parameters

• Formula: C15 H31 N2 O7.5
• Calculated formula: C15 H31 N2 O7.5
• Title of publication: Supramolecular hydrogels from unprotected dipeptides: a comparative study on stereoisomers and structural isomers.
• Authors of publication: Bellotto, Ottavia; Kralj, Slavko; De Zorzi, Rita; Geremia, Silvano; Marchesan, Silvia
• Journal of publication: Soft matter
• Year of publication: 2020
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 10151 - 10157
• a: 16.87 ± 0.004 Å
• b: 5.77 ± 0.001 Å
• c: 19.89 ± 0.003 Å
• α: 90°
• β: 105.9 ± 0.012°
• γ: 90°
• Cell volume: 1862 ± 0.6 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: 0.0797
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No