Information card for entry 7101320

Structure parameters

• Common name: C37H46N6O12
• Chemical name: C37H46N6O12
• Formula: C37 H46 N6 O12
• Calculated formula: C37 H46 N6 O12
• Title of publication: A transmembrane anion transporter selective for nitrate over chloride
• Authors of publication: Paul V. Santacroce; Oluyomi A. Okunola; Peter Y. Zavalij; Jeffery T. Davis
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 30
• a: 13.112 ± 0.0007 Å
• b: 16.6088 ± 0.0009 Å
• c: 18.4861 ± 0.001 Å
• α: 90°
• β: 108.52 ± 0.001°
• γ: 90°
• Cell volume: 3817.3 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No