Information card for entry 7101498

Structure parameters

• Formula: C40 H46.5 N8 O10.25
• Calculated formula: C40 H46.5 N8 O10.25
• Title of publication: Anion-binding modes in a macrocyclic amidourea
• Authors of publication: Philip Gale
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 41
• a: 16.9307 ± 0.0016 Å
• b: 10.149 ± 0.0006 Å
• c: 23.89 ± 0.002 Å
• α: 90°
• β: 102.098 ± 0.003°
• γ: 90°
• Cell volume: 4013.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No