Information card for entry 7153533

Structure parameters

• Formula: C30 H36 N4 O3
• Calculated formula: C30 H36 N4 O3
• Title of publication: Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes
• Authors of publication: El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 20
• Pages of publication: 2935 - 2941
• a: 11.1668 ± 0.0003 Å
• b: 11.7777 ± 0.0003 Å
• c: 20.32 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2672.47 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No