Information card for entry 7103217

Structure parameters

• Formula: C68.25 H97.5 Cl0.5 N6 O4.5 S
• Calculated formula: C68.25 H96.5 Cl0.5 N6 O4.5 S
• Title of publication: Sulfate anion templation of a neutral pseudorotaxane assembly using an indolocarbazole threading component.
• Authors of publication: Chmielewski, Michał J; Zhao, Liyun; Brown, Asha; Curiel, David; Sambrook, Mark R; Thompson, Amber L; Santos, Sergio M; Felix, Vitor; Davis, Jason J; Beer, Paul D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3154 - 3156
• a: 13.3572 ± 0.0002 Å
• b: 17.5978 ± 0.0003 Å
• c: 28.2466 ± 0.0005 Å
• α: 88.049 ± 0.001°
• β: 87.729 ± 0.001°
• γ: 84.26 ± 0.001°
• Cell volume: 6598.07 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2635
• Residual factor for significantly intense reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.3693
• Weighted residual factors for all reflections included in the refinement: 0.4323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No