Information card for entry 4122289

Structure parameters

• Formula: C70 H60 F36 N8 P6
• Calculated formula: C70 H60 F36 N8 P6
• Title of publication: ExCage
• Authors of publication: Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10669
• a: 18.0422 ± 0.0007 Å
• b: 28.4947 ± 0.0014 Å
• c: 21.5301 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11068.8 ± 0.8 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.3324
• Weighted residual factors for all reflections included in the refinement: 0.3527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No