Information card for entry 7152677

Structure parameters

• Formula: C160 H354 N18 O46 P8
• Calculated formula: C160 H330 N18 O46 P8
• Title of publication: Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.
• Authors of publication: Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 7780 - 7788
• a: 37.471 ± 0.004 Å
• b: 23.257 ± 0.003 Å
• c: 23.235 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20248 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.313
• Weighted residual factors for all reflections included in the refinement: 0.3509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No