Information card for entry 4107319

Structure parameters

• Formula: C46 H42 Cl2 N3 P
• Calculated formula: C46 H42 Cl2 N3 P
• Title of publication: Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
• Authors of publication: Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 990 - 1002
• a: 25.9707 ± 0.0005 Å
• b: 10.16657 ± 0.00018 Å
• c: 31.7731 ± 0.0006 Å
• α: 90°
• β: 113.403 ± 0.0007°
• γ: 90°
• Cell volume: 7699 ± 0.3 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.4181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No