Information card for entry 7226647

Structure parameters

• Formula: C40 H48 N8 O12
• Calculated formula: C40 H40 N8 O12
• 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: 29.25 ± 0.012 Å
• b: 7.997 ± 0.003 Å
• c: 21.648 ± 0.009 Å
• α: 90°
• β: 120.242 ± 0.009°
• γ: 90°
• Cell volume: 4375 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2658
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.2771
• Weighted residual factors for all reflections included in the refinement: 0.3762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No