Information card for entry 1502313

Structure parameters

• Formula: C156 H199 Cl2 N29 O14.93
• Calculated formula: C156 H199 Cl2 N29 O14.93
• Title of publication: Bambus[n]urils: a new family of macrocyclic anion receptors.
• Authors of publication: Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4000 - 4003
• a: 13.2033 ± 0.0003 Å
• b: 19.022 ± 0.0004 Å
• c: 30.5196 ± 0.0006 Å
• α: 87.879 ± 0.002°
• β: 86.34 ± 0.002°
• γ: 75.761 ± 0.002°
• Cell volume: 7412.7 ± 0.3 ų
• Cell temperature: 119.9 K
• Ambient diffraction temperature: 119.9 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.1493
• Weighted residual factors for significantly intense reflections: 0.3857
• Weighted residual factors for all reflections included in the refinement: 0.3947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No