Information card for entry 7113446

Structure parameters

• Common name: Calix[5]arene:C70
• Formula: C105 H30 O5
• Calculated formula: C105 H30 O5
• Title of publication: Association and orientation of C70 on complexation with calix[5]arene
• Authors of publication: Atwood, Jerry L.; Barbour, Leonard J.; Heaven, Michael W.; Raston, Colin L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2270 - 2271
• a: 19.71 ± 0.003 Å
• b: 14.582 ± 0.002 Å
• c: 20.427 ± 0.003 Å
• α: 90°
• β: 104.525 ± 0.002°
• γ: 90°
• Cell volume: 5683.3 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.184
• Residual factor for significantly intense reflections: 0.1492
• Weighted residual factors for significantly intense reflections: 0.4027
• Weighted residual factors for all reflections included in the refinement: 0.4357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.695
• Diffraction radiation wavelength: 0.686 Å
• Diffraction radiation type: Synchrotron
• Duplicate of: 7104784
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No