Information card for entry 7122203

Structure parameters

• Formula: C40 H56 N10 O14 S2
• Calculated formula: C40 H56 N10 O14 S2
• Title of publication: Surprisingly selective sulfate extraction by a simple monofunctional di(imino)guanidinium micelle-forming anion receptor.
• Authors of publication: Williams, Neil J.; Seipp, Charles A.; Garrabrant, Kathleen A.; Custelcean, Radu; Holguin, Erick; Keum, Jong K.; Ellis, Ross J.; Moyer, Bruce A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 72
• Pages of publication: 10048 - 10051
• a: 8.9283 ± 0.0004 Å
• b: 13.9637 ± 0.0006 Å
• c: 18.7435 ± 0.0008 Å
• α: 90°
• β: 101.484 ± 0.001°
• γ: 90°
• Cell volume: 2290.01 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No