Information card for entry 4321865

Structure parameters

• Formula: C80.5 H96.5 Cl7.5 O10 P2
• Calculated formula: C80.5 H96.5 Cl7.5 O10 P2
• Title of publication: Calix[4]arene Ligands with Phosphorus-Containing Groups Tethered at the Upper Rim
• Authors of publication: Izilda A. Bagatin; Dominique Matt; Holger Thönnessen; Peter G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1585 - 1591
• a: 16.313 ± 0.005 Å
• b: 16.553 ± 0.005 Å
• c: 17.068 ± 0.006 Å
• α: 108.04 ± 0.02°
• β: 93.13 ± 0.02°
• γ: 100.268 ± 0.018°
• Cell volume: 4282 ± 2 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: 0.1428
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No