Information card for entry 8102415

Structure parameters

• Chemical name: 25, 27-Dibenzoyloxy-26, 28-dihydroxythiacalix[4]arene, C~38~H~24~O~6~S~4~
• Formula: C38 H24 O6 S4
• Calculated formula: C38 H24 O6 S4
• Title of publication: Crystal structure of 25,27-dibenzoyloxy-26,28-dihydroxythiacalix[4]arene, C38H24O6S4
• Authors of publication: Xiao-Jun Hu; Da Zhao; Tie-Heng Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 124
• a: 10.6898 ± 0.0011 Å
• b: 12.6472 ± 0.0016 Å
• c: 13.6147 ± 0.0016 Å
• α: 97.685 ± 0.009°
• β: 108.45 ± 0.009°
• γ: 110.478 ± 0.009°
• Cell volume: 1572.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No