Information card for entry 7011976

Structure parameters

• Formula: C87.5 H156 O25 P6
• Calculated formula: C87.5 H130 O25 P6
• Title of publication: A p-tert-butylcalix[6]arene bearing phosphinoyl pendant arms for the complexation and sensitisation of lanthanide ions
• Authors of publication: Flor de María Ramírez; Sabi Varbanov; Corine Cécile; Gilles Muller; Nicolas Fatin-Rouge; Rosario Scopelliti; Jean-Claude G. Bünzli
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4505 - 4513
• a: 25.552 ± 0.011 Å
• b: 30.5 ± 0.014 Å
• c: 27.111 ± 0.003 Å
• α: 90°
• β: 104.88 ± 0.03°
• γ: 90°
• Cell volume: 20420 ± 13 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3105
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2414
• Weighted residual factors for all reflections included in the refinement: 0.3378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No