Information card for entry 7050198

Structure parameters

• Formula: C20 H30 Br2 N4 O1.75
• Calculated formula: C20 H30 Br2 N4 O1.75
• Title of publication: Self-assembly route from a bis-aminal derivative to a new cyclam based macropentacycle
• Authors of publication: Raphaël Tripier; Stéphanie Develay; Michel Le Baccon; Françoise Chuburu; François Michaud; Henri Handel
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 173 - 176
• a: 24.9759 ± 0.0007 Å
• b: 24.9758 ± 0.0007 Å
• c: 16.2578 ± 0.00029 Å
• α: 90 ± 0.0005°
• β: 90 ± 0.0005°
• γ: 90 ± 0.0005°
• Cell volume: 10141.5 ± 0.4 ų
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.2348
• Weighted residual factors for significantly intense reflections: 0.1947
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No