Information card for entry 7158092

Structure parameters

• Chemical name: P6(i-Bu)
• Formula: C171.26 H177.04 N24 O31.26
• Calculated formula: C171.259 H177.036 N24 O31.259
• 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: 16.701 ± 0.0002 Å
• b: 20.4228 ± 0.0002 Å
• c: 24.065 ± 0.0002 Å
• α: 89.126 ± 0.001°
• β: 76.396 ± 0.001°
• γ: 87.174 ± 0.001°
• Cell volume: 7968.08 ± 0.14 ų
• Cell temperature: 170 ± 0.15 K
• Ambient diffraction temperature: 170 ± 0.15 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: 0.1276
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.3199
• Weighted residual factors for all reflections included in the refinement: 0.3236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No