Information card for entry 7152217

Structure parameters

• Formula: C11 H18 N2 O3
• Calculated formula: C11 H18 N2 O3
• SMILES: O=C1N[C@H](C(=C1)NCC(=O)OC(C)(C)C)C
• Title of publication: Omegatides: constrained analogs of peptide primary sequence.
• Authors of publication: Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 921 - 924
• a: 19.2441 ± 0.001 Å
• b: 19.2441 ± 0.001 Å
• c: 14.2264 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5268.5 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No