Information card for entry 7112548

Structure parameters

• Formula: C39 H58 Cl3 N3 O3
• Calculated formula: C39 H58 Cl3 N3 O3
• Title of publication: Synthetic chloride transporters with the binding mode observed in a ClC chloride channel.
• Authors of publication: Choi, Ye Rin; Chae, Min Kyung; Kim, Dongwook; Lah, Myoung Soo; Jeong, Kyu-Sung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 83
• Pages of publication: 10346 - 10348
• a: 13.59 ± 0.003 Å
• b: 19.104 ± 0.004 Å
• c: 17.224 ± 0.003 Å
• α: 90°
• β: 110.86 ± 0.03°
• γ: 90°
• Cell volume: 4178.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1247
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No