Information card for entry 7106002

Structure parameters

• Formula: C115.04 H99.74 N20 O12.82
• Calculated formula: C115.06 H85.612 N20 O12.842
• Title of publication: Aromatic single-walled organic nanotubes self-assembled from NH-bridged azacalix[2]triptycene[2]pyridine
• Authors of publication: Min Xue; Chuan-Feng Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2318
• a: 17.445 ± 0.004 Å
• b: 20.049 ± 0.004 Å
• c: 22.132 ± 0.004 Å
• α: 65.99 ± 0.03°
• β: 79.88 ± 0.03°
• γ: 79.54 ± 0.03°
• Cell volume: 6909 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.137
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2844
• Weighted residual factors for all reflections included in the refinement: 0.3227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No