Information card for entry 7200298

Structure parameters

• Formula: C84 H82.96 N10 Na O38.88 S8
• Calculated formula: C84 H32 N10 Na O38.865 S8
• Title of publication: Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations
• Authors of publication: Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 597
• a: 14.5485 ± 0.0016 Å
• b: 17.3505 ± 0.0019 Å
• c: 21.267 ± 0.002 Å
• α: 79.39 ± 0.002°
• β: 72.937 ± 0.002°
• γ: 71.767 ± 0.002°
• Cell volume: 4849.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1656
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.3154
• Weighted residual factors for all reflections included in the refinement: 0.3472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No