Information card for entry 7054183

Structure parameters

• Formula: C33 H39 N9 O7 S2
• Calculated formula: C33 H39 N9 O7 S2
• Title of publication: A simple benzimidazole-based receptor for barbiturate and urea neutral guests that functions in polar solvent mixtures
• Authors of publication: Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 1583
• a: 9.9882 ± 0.0004 Å
• b: 14.1537 ± 0.0005 Å
• c: 14.7208 ± 0.0008 Å
• α: 64.158 ± 0.002°
• β: 86.751 ± 0.003°
• γ: 70.732 ± 0.003°
• Cell volume: 1758.73 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No