Information card for entry 4109597

Structure parameters

• Formula: C80 H92 F24 N10 O10 P4
• Calculated formula: C80 H92 F24 N10 O10 P4
• Title of publication: Structural and Co-conformational Effects of Alkyne-Derived Subunits in Charged Donor-Acceptor [2]Catenanes
• Authors of publication: Ognjen Š. Miljanić; William R. Dichtel; Saeed I. Khan; Shahab Mortezaei; James R. Heath; J. Fraser Stoddart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8236 - 8246
• a: 14.021 ± 0.003 Å
• b: 14.121 ± 0.003 Å
• c: 22.21 ± 0.005 Å
• α: 94.628 ± 0.002°
• β: 93.4 ± 0.002°
• γ: 93.554 ± 0.003°
• Cell volume: 4365.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No