Information card for entry 7228695

Structure parameters

• Formula: C71 H78 N6 O13 S4
• Calculated formula: C71 H78 N6 O13 S4
• Title of publication: Synthesis, crystal structure and remote allosteric binding properties of cone thiacalix[4]pseudocrown receptors bearing anthraquinone function and different arms
• Authors of publication: Lv, Xue-Xin; Wang, Qian; Zhang, Li-Jing; Liu, Ling-Ling; Zhao, Mei; Guo, Dian-Shun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 56
• Pages of publication: 35528
• a: 15.083 ± 0.004 Å
• b: 15.371 ± 0.004 Å
• c: 16.395 ± 0.004 Å
• α: 66.767 ± 0.003°
• β: 81.148 ± 0.004°
• γ: 80.089 ± 0.004°
• Cell volume: 3425.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No