Information card for entry 7158091

Structure parameters

• Chemical name: TPA-P6(n-He)
• Formula: C116 H125 N13 O14
• Calculated formula: C116 H125 N13 O14
• Title of publication: Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.
• Authors of publication: Pang, Zhi; Qi, Ting; Li, Baolin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5555 - 5562
• a: 16.27079 ± 0.00007 Å
• b: 24.574 ± 0.00009 Å
• c: 28.66463 ± 0.00011 Å
• α: 112.948 ± 0.0004°
• β: 98.3767 ± 0.0004°
• γ: 100.387 ± 0.0003°
• Cell volume: 10081.8 ± 0.08 ų
• Cell temperature: 169.99 ± 0.13 K
• Ambient diffraction temperature: 169.99 ± 0.13 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: 0.0803
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No