Information card for entry 7212212

Structure parameters

• Formula: C20.5 H27 Cl N4 O2
• Calculated formula: C20.5 H27 Cl N4 O2
• Title of publication: A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels
• Authors of publication: Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1722
• a: 16.939 ± 0.001 Å
• b: 16.939 ± 0.001 Å
• c: 6.2865 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1562.12 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 172
• Hermann-Mauguin space group symbol: P 64
• Hall space group symbol: P 64
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No