Information card for entry 2001170

Structure parameters

• Formula: C34 H44 O12 S2
• Calculated formula: C27 H29 O6 S
• Title of publication: 18-Crown-6‒methyl 2-naphthalenesulfonate (1/2) complex
• Authors of publication: Chênevert, R.; Gagnon, R.; Simard, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2134 - 2137
• a: 15.22 ± 0.005 Å
• b: 8.229 ± 0.005 Å
• c: 15.717 ± 0.005 Å
• α: 90°
• β: 116.84 ± 0.03°
• γ: 90°
• Cell volume: 1756.4 ± 1.4 ų
• Cell temperature: 190 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 2.88
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No