Information card for entry 1504551

Structure parameters

• Formula: C24 H28 N4 O4
• Calculated formula: C24 H28 N4 O4
• SMILES: O=C1N(CC#C)CCC(=O)N(CCC(=O)N(CCC(=O)N(CC1)CC#C)CC#C)CC#C
• Title of publication: Cyclic beta-peptoids.
• Authors of publication: Roy, Olivier; Faure, Sophie; Thery, Vincent; Didierjean, Claude; Taillefumier, Claude
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 921 - 924
• a: 12.337 ± 0.003 Å
• b: 12.337 ± 0.003 Å
• c: 8.6191 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1311.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No