Information card for entry 7101452

Structure parameters

• Formula: C63 H70.52 N9 O9.76
• Calculated formula: C63 H70.518 N9 O9.759
• Title of publication: Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes
• Authors of publication: Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 39
• Pages of publication: 4069 - 4071
• a: 15.7533 ± 0.0003 Å
• b: 10.5328 ± 0.0002 Å
• c: 17.8744 ± 0.0005 Å
• α: 90°
• β: 102.805 ± 0.0001°
• γ: 90°
• Cell volume: 2892.07 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No