Information card for entry 7108562

Structure parameters

• Formula: C98 H118 F12 N2 O22 P2
• Calculated formula: C98 H118 F12 N2 O22 P2
• Title of publication: Complexation between triptycene-based macrotricyclic host and pi-extended viologens: formation of supramolecular poly[3]pseudorotaxanes
• Authors of publication: Ying Han; Ya-Kun Gu; Jun-Feng Xiang; Chuan-Feng Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11076
• a: 12.768 ± 0.003 Å
• b: 13.623 ± 0.003 Å
• c: 14.01 ± 0.003 Å
• α: 72.17 ± 0.03°
• β: 88.99 ± 0.03°
• γ: 83.52 ± 0.03°
• Cell volume: 2304.6 ± 1 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
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No