Information card for entry 4126923

Structure parameters

• Formula: C48 H56 F6 Fe N3 O8 P
• Calculated formula: C48 H56 F6 Fe N3 O8 P
• Title of publication: Reversible Laser-Induced Bending of Pseudorotaxane Crystals.
• Authors of publication: Cheng, Shao-Chi; Chen, Kai-Jen; Suzaki, Yuji; Tsuchido, Yoshitaka; Kuo, Ting-Shen; Osakada, Kohtaro; Horie, Masaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.1921 ± 0.0015 Å
• b: 11.4742 ± 0.0014 Å
• c: 21.692 ± 0.003 Å
• α: 86.353 ± 0.011°
• β: 85.801 ± 0.011°
• γ: 86.926 ± 0.009°
• Cell volume: 2521.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2764
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.2832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No