Information card for entry 4515182

Structure parameters

• Formula: C66 H48 Cl2 N6
• Calculated formula: C66 H48 Cl2 N6
• SMILES: c1(c(c2c(c3c(nc4c(ccc(c4n3)c3ccc(cc3)C)c3ccc(cc3)C)Cl)nc3c(ccc(c3n2)c2ccc(cc2)C)c2ccc(cc2)C)nc2c(ccc(c2n1)c1ccc(cc1)C)c1ccc(cc1)C)Cl
• 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: 9.1275 ± 0.0003 Å
• b: 17.0682 ± 0.0004 Å
• c: 17.2015 ± 0.0005 Å
• α: 104.902 ± 0.002°
• β: 98.456 ± 0.002°
• γ: 98.294 ± 0.002°
• Cell volume: 2514.64 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0703
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.78263 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No