Information card for entry 1518539

Structure parameters

• Formula: C17 H24 N2 O5
• Calculated formula: C17 H24 N2 O5
• SMILES: O=C(NC(C(=O)OC)(C)C)c1cc(NC(=O)OC(C)(C)C)ccc1
• Title of publication: Marked difference in self-assembly, morphology, and cell viability of positional isomeric dipeptides generated by reversal of sequence.
• Authors of publication: Kar, Sudeshna; Tai, Yian
• Journal of publication: Soft matter
• Year of publication: 2015
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1345 - 1351
• a: 14.2575 ± 0.0005 Å
• b: 13.1713 ± 0.0004 Å
• c: 20.8636 ± 0.0008 Å
• α: 90°
• β: 108.856 ± 0.004°
• γ: 90°
• Cell volume: 3707.7 ± 0.2 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100.05 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No