Information card for entry 4515178

Structure parameters

• Formula: C66 H48 Cl2 N6 O2
• Calculated formula: C66 H48 Cl2 N6 O2
• 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)OC)c1ccc(cc1)OC)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: 9.1607 ± 0.0003 Å
• b: 16.8571 ± 0.0005 Å
• c: 17.2193 ± 0.0005 Å
• α: 106.194 ± 0.002°
• β: 99.701 ± 0.002°
• γ: 96.486 ± 0.002°
• Cell volume: 2480.84 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.78238 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No