Information card for entry 7153534

Structure parameters

• Formula: C23 H35 N3 O3
• Calculated formula: C23 H35 N3 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: 13.788 ± 0.002 Å
• b: 17.251 ± 0.003 Å
• c: 9.9242 ± 0.001 Å
• α: 90°
• β: 107.786 ± 0.009°
• γ: 90°
• Cell volume: 2247.7 ± 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: 0.1753
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.2857
• Weighted residual factors for all reflections included in the refinement: 0.3148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No