Information card for entry 4515181

Structure parameters

• Formula: C46 H34 Cl2 N4 O2
• Calculated formula: C46 H33 Cl2 N4 O2
• SMILES: n1c(c(nc2c(ccc(c12)c1ccc(cc1)C)c1ccc(cc1)C)C(=O)C(c1nc2c(nc1Cl)c(ccc2c1ccc(cc1)C)c1ccc(cc1)C)O)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: 9.341 ± 0.004 Å
• b: 12.431 ± 0.005 Å
• c: 16.645 ± 0.007 Å
• α: 107.362 ± 0.006°
• β: 94.593 ± 0.005°
• γ: 102.557 ± 0.005°
• Cell volume: 1778.7 ± 1.3 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: 0.0863
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No