Information card for entry 7226648

Structure parameters

• Formula: C41.56 H48 N8 O10.44
• Calculated formula: C41.564 H46.692 N8 O10.436
• 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: 29.177 ± 0.01 Å
• b: 7.999 ± 0.002 Å
• c: 21.586 ± 0.007 Å
• α: 90°
• β: 119.075 ± 0.007°
• γ: 90°
• Cell volume: 4403 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.2146
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.3272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No