Information card for entry 7226643

Structure parameters

• Formula: C34 H36 N8 O6
• Calculated formula: C34 H36 N8 O6
• SMILES: C1(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(C1)CC#C)CC#C)CC#C)CC#C)CC#C)CC#C.N#CC.N#CC
• Title of publication: Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids
• Authors of publication: Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 46
• Pages of publication: 8838
• a: 11.717 ± 0.006 Å
• b: 17.333 ± 0.009 Å
• c: 8.824 ± 0.005 Å
• α: 90°
• β: 106.29 ± 0.006°
• γ: 90°
• Cell volume: 1720.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.2952 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No