Information card for entry 7115178

Structure parameters

• Formula: C154 H180 O17 P6
• Calculated formula: C154 H138 O17 P6
• Title of publication: Hexahomotrioxacalix[3]arene: a scaffold for a C3-symmetric phosphine ligand that traps a hydrido-rhodium fragment inside a molecular funnel
• Authors of publication: Dieleman, Cedric B.; Matt, Dominique; Neda, Ion; Schmutzler, Reinhard; Harriman, Anthony; Yaftian, Reza
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1911
• a: 13.012 ± 0.0007 Å
• b: 13.3008 ± 0.0004 Å
• c: 21.468 ± 0.001 Å
• α: 91.262 ± 0.003°
• β: 95.245 ± 0.003°
• γ: 94.456 ± 0.003°
• Cell volume: 3687.1 ± 0.3 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: 0.207
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections: 2.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No