Information card for entry 7005844

Structure parameters

• Formula: C38 H46 Cl6 O10
• Calculated formula: C38 H46 Cl6 O10
• Title of publication: Structures and solution dynamics of pseudorotaxanes mediated by alkali-metal cations.
• Authors of publication: Pascu, Sofia I.; Naumann, Christoph; Kaiser, Guido; Bond, Andrew D.; Sanders, Jeremy K. M.; Jarrosson, Thibaut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3874 - 3884
• a: 10.7936 ± 0.0012 Å
• b: 11.3413 ± 0.0013 Å
• c: 17.171 ± 0.002 Å
• α: 92.089 ± 0.002°
• β: 105.095 ± 0.002°
• γ: 94.5 ± 0.002°
• Cell volume: 2019.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.6923 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No