Information card for entry 8102319

Structure parameters

• Formula: C32 H30 N2 O10 S4
• Calculated formula: C32 H30 N2 O10 S4
• Title of publication: Crystal structure of 5,17-dinitro-25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene - tetrahydrofuran (1:2), C24H14N2O8S4 · 2C4H8O
• Authors of publication: Xiao-Jun Hu; Xiao Liu; Pin Zhang; Tie-Heng Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 393
• a: 14.7427 ± 0.0014 Å
• b: 18.8971 ± 0.0018 Å
• c: 11.8151 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3291.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No