Information card for entry 7111940

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: Study of the nano-morphological versatility by self-assembly of a peptide mimetic molecule in response to physical and chemical stimuli
• Authors of publication: Sudeshna Kar; Kung-Wei Wu; I-Jui Hsu; Chi-Rung Lee; Yian Tai
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2638
• 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 wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No