Information card for entry 4104136

Structure parameters

• Formula: C46 H48 F24 N8 O2 P4
• Calculated formula: C46 H48 F24 N8 O2 P4
• Title of publication: Interlocked Host Anion Recognition by an Indolocarbazole-Containing [2]Rotaxane
• Authors of publication: Asha Brown; Kathleen M. Mullen; Jay Ryu; Michał J. Chmielewski; Sérgio M. Santos; Vitor Felix; Amber L. Thompson; John E. Warren; Sofia I. Pascu; Paul D. Beer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4937 - 4952
• a: 23.8889 ± 0.0002 Å
• b: 8.2835 ± 0.0001 Å
• c: 29.5789 ± 0.0003 Å
• α: 90°
• β: 107.818 ± 0.0004°
• γ: 90°
• Cell volume: 5572.41 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9625
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No