Information card for entry 4515179

Structure parameters

• Formula: C86 H78 Cl2 N6 O P2 Pd
• Calculated formula: C86 H78 Cl2 N6 O P2 Pd
• SMILES: n1c(c(nc2c(ccc(c12)c1ccc(cc1)C)c1ccc(cc1)C)c1nc2c(nc1c1nc3c(nc1Cl)c(ccc3c1ccc(cc1)C)c1ccc(cc1)C)c(ccc2c1ccc(cc1)C)c1ccc(cc1)C)[Pd](Cl)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1.O1CCCC1
• Title of publication: Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization
• Authors of publication: Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori
• Journal of publication: ACS Macro Letters
• Year of publication: 2019
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 479
• a: 12.5902 ± 0.0006 Å
• b: 15.6843 ± 0.0006 Å
• c: 19.3156 ± 0.0008 Å
• α: 83.7616 ± 0.0013°
• β: 74.8828 ± 0.0015°
• γ: 76.0836 ± 0.0016°
• Cell volume: 3569.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No