Information card for entry 4023894

Structure parameters

• Formula: C46 H62 F6 N O10 P
• Calculated formula: C46 H62 F6 N O10 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O(C(=O)c1cc(cc(c1)C)C)Cc1ccc(cc1)C[NH2+]CC(C)(C)C.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1
• Title of publication: Quantitative Active Transport in [2]Rotaxane Using a One-Shot Acylation Reaction toward the Linear Molecular Motor
• Authors of publication: Yoshimasa Makita; Nobuhiro Kihara; Toshikazu Takata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9245 - 9250
• a: 9.995 ± 0.011 Å
• b: 18.285 ± 0.009 Å
• c: 13.353 ± 0.007 Å
• α: 90°
• β: 100.118 ± 0.004°
• γ: 90°
• Cell volume: 2402.4 ± 3.1 ų
• Cell temperature: 150.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No