Information card for entry 7100892

Structure parameters

• Formula: C58 H96 Cl4 N3 Na O21
• Calculated formula: C58 H70 Cl4 N3 Na O21
• Title of publication: Conformational isomerism in unsymmetrical [2]rotaxanes as a form of mechanical ?flip? switch
• Authors of publication: S.J. Loeb; J. Tiburcio; S.J. Vella
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 12.0582 ± 0.001 Å
• b: 16.6298 ± 0.0014 Å
• c: 19.1898 ± 0.0016 Å
• α: 107.95 ± 0.002°
• β: 99.351 ± 0.002°
• γ: 108.111 ± 0.002°
• Cell volume: 3334.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No