Information card for entry 4515180

Structure parameters

• Formula: C102 H108 Cl2 N6 O2 P4 Pd2 S2
• Calculated formula: C102 H88 Cl2 N6 O2 P4 Pd2 S2
• SMILES: n1c(c(nc2c(ccc(c12)c1ccc(cc1)C)c1ccc(cc1)C)c1nc2c(nc1c1nc3c(nc1[Pd](Cl)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)c(ccc3c1ccc(cc1)C)c1ccc(cc1)C)c(ccc2c1c(ccs1)C)c1c(ccs1)C)[Pd]([P](C)(C)c1ccccc1)(Cl)[P](C)(C)c1ccccc1.CCOCC.O(CC)CC
• 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: 14.5738 ± 0.0004 Å
• b: 18.0601 ± 0.0005 Å
• c: 18.5802 ± 0.0005 Å
• α: 81.0382 ± 0.0008°
• β: 77.9769 ± 0.0008°
• γ: 89.6204 ± 0.0009°
• Cell volume: 4723 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No