Information card for entry 2006485

Structure parameters

• Formula: C45 H54 Cl13 O4 P3
• Calculated formula: C45 H54 Cl13 O4 P3
• Title of publication: An Unusual Calix[4]arene Derivative Containing Phosphorus with Coordination Numbers 4, 5 and 6
• Authors of publication: Thönnessen, Holger; Jones, Peter G.; Schmutzler, Reinhard; Gloede, Jörg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1310 - 1312
• a: 10.5549 ± 0.001 Å
• b: 14.3979 ± 0.0014 Å
• c: 18.135 ± 0.0002 Å
• α: 96.474 ± 0.008°
• β: 90.053 ± 0.006°
• γ: 96.379 ± 0.008°
• Cell volume: 2721.2 ± 0.4 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: 0.0835
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1818
• Weighted residual factors for significantly intense reflections: 0.1587
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No