Information card for entry 7210008

Structure parameters

• Formula: C18 H26 N2 O6
• Calculated formula: C18 H26 N2 O6
• SMILES: O=C(O)C(NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1)(C)C.O(CC)C(=O)C
• Title of publication: Fabrication of microspheres from self-assembled γ-peptides
• Authors of publication: Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 5860
• a: 10.864 ± 0.003 Å
• b: 11.56 ± 0.003 Å
• c: 31.828 ± 0.009 Å
• α: 90.032 ± 0.005°
• β: 90.091 ± 0.005°
• γ: 91.966 ± 0.004°
• Cell volume: 3994.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.3577
• Weighted residual factors for all reflections included in the refinement: 0.3793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No