Information card for entry 4114225

Structure parameters

• Formula: C53 H54 Cl2 O12 P2
• Calculated formula: C54 H52 Cl2 O12 P2
• Title of publication: Rational Design of Cavitand Receptors for Mass Sensors
• Authors of publication: Michele Suman; Micol Freddi; Chiara Massera; Franco Ugozzoli; Enrico Dalcanale
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12068 - 12069
• a: 19.827 ± 0.005 Å
• b: 12.558 ± 0.005 Å
• c: 21.186 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5275 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No