Information card for entry 7053725

Structure parameters

• Formula: C18.5 H14.5 N0.5 O12
• Calculated formula: C17.25 O5
• Title of publication: Large diameter non-covalent nanotubes based on the self-assembly of para-carboxylatocalix[4]arene
• Authors of publication: Dalgarno, Scott J.; Warren, John E.; Antesberger, Jochen; Glass, Timothy E.; Atwood, Jerry L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Pages of publication: 1891 - 1894
• a: 28.9049 ± 0.0014 Å
• b: 28.9049 ± 0.0014 Å
• c: 21.444 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15516 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.2663
• Residual factor for significantly intense reflections: 0.2609
• Weighted residual factors for significantly intense reflections: 0.6108
• Weighted residual factors for all reflections included in the refinement: 0.6184
• Goodness-of-fit parameter for all reflections included in the refinement: 5.895
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No