Information card for entry 7027708

Structure parameters

• Formula: C144 H166 O13 P4
• Calculated formula: C144 H152 O12.5 P4
• Title of publication: Co-ordination chemistry of macrocyclic compounds with dangling phosphines. Unusual NMR shifts in metallo-calix[4]arenes †
• Authors of publication: Dieleman, Cedric B.; Marsol, Claire; Matt, Dominique; Kyritsakas, Nathalie; Harriman, Anthony; Kintzinger, Jean-Pierre
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4139
• a: 14.9993 ± 0.0008 Å
• b: 15.351 ± 0.001 Å
• c: 15.4699 ± 0.0009 Å
• α: 102.912 ± 0.009°
• β: 106.361 ± 0.009°
• γ: 103.676 ± 0.009°
• Cell volume: 3156.1 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.177
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections: 2.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No