Information card for entry 7105753

Structure parameters

• Formula: C32.88 H51.5 Cl2 N4 O14.88
• Calculated formula: C65.75 H80 Cl4 N8 O29.75
• Title of publication: Anion templated dynamic correction towards the formation of structurally disfavored macrocycles
• Authors of publication: Ignacio Alfonso; Miriam Bru; Michael Bolte; Isabel Burguete; Santiago Luis
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 283
• a: 20.1702 ± 0.0009 Å
• b: 20.6243 ± 0.0008 Å
• c: 40.444 ± 0.002 Å
• α: 90°
• β: 100.75 ± 0.004°
• γ: 90°
• Cell volume: 16529.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2144
• Residual factor for significantly intense reflections: 0.1598
• Weighted residual factors for significantly intense reflections: 0.3882
• Weighted residual factors for all reflections included in the refinement: 0.4429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No