Information card for entry 7107367

Structure parameters

• Formula: C44 H68 N4 O12 Zn2
• Calculated formula: C44 H61 N4 O12 Zn2
• Title of publication: Controlling the macrocycle size by the stoichiometry of the applied template ion
• Authors of publication: Aleksandra Sarnicka; Przemyslaw Starynowicz; Jerzy Lisowski
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2237
• a: 8.886 ± 0.003 Å
• b: 11.478 ± 0.003 Å
• c: 12.337 ± 0.003 Å
• α: 91.92 ± 0.02°
• β: 98.96 ± 0.02°
• γ: 103.52 ± 0.02°
• Cell volume: 1205.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No