Information card for entry 7111410

Structure parameters

• Common name: calix[4]arene dihydroxyphosphonic acid D-Arginine
• Formula: C148 H232 N24 O101.7 S16
• Calculated formula: C148 H119 N24 O101.7 S16
• Title of publication: A new packing motif for para-sulfonatocalix[4]arene: the solid state structure of the para-sulfonatocalix[4]arene d-arginine complex
• Authors of publication: Lazar, Adina; Da Silva, Eric; Navaza, Alda; Barbey, Carole; Coleman, Anthony W.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2162 - 2163
• a: 12.306 ± 0.003 Å
• b: 20.59 ± 0.004 Å
• c: 21.349 ± 0.004 Å
• α: 79.75 ± 0.004°
• β: 74.872 ± 0.005°
• γ: 85.978 ± 0.005°
• Cell volume: 5137 ± 1.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2224
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No