Information card for entry 1547453

Structure parameters

• Formula: C72 H81 I3 P6 Pd3
• Calculated formula: C72 H81 I3 P6 Pd3
• SMILES: c1c(cc(cc1c1ccc(cc1)[Pd]([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)I)c1ccc(cc1)[Pd](I)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C)c1ccc(cc1)[Pd](I)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• Title of publication: Synthesis and Solution Properties of a Rigid Helical Star Polymer: Three-Arm Star Poly(quinoxaline-2,3-diyl)
• Authors of publication: Hasegawa, Hirokazu; Nagata, Yuuya; Terao, Ken; Suginome, Michinori
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 7491
• a: 9.375 ± 0.0003 Å
• b: 24.889 ± 0.0007 Å
• c: 32.6086 ± 0.001 Å
• α: 91.535 ± 0.002°
• β: 96.019 ± 0.002°
• γ: 96.156 ± 0.002°
• Cell volume: 7517.6 ± 0.4 ų
• Cell temperature: 451 ± 2 K
• Ambient diffraction temperature: 451 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.3027
• Weighted residual factors for all reflections included in the refinement: 0.3338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.78207 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No