Information card for entry 1529505

Structure parameters

• Formula: C30 H21 Br2 N3 O4
• Calculated formula: C30 H21 Br2 N3 O4
• SMILES: Brc1oc(c2nnc(c3c2c2ccc4C(=O)N(C(=O)c5ccc3c2c45)CCCCCC)c2oc(Br)cc2)cc1
• Title of publication: Ultrahigh electron-deficient pyrrolo-acenaphtho-pyridazine-dione based donor‒acceptor conjugated polymers for electrochromic applications
• Authors of publication: Cho, Ching Mui; Ye, Qun; Neo, Wei Teng; Lin, Tingting; Lu, Xuehong; Xu, Jianwei
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 43
• Pages of publication: 7570
• a: 13.4552 ± 0.0006 Å
• b: 13.6974 ± 0.0007 Å
• c: 14.8065 ± 0.0006 Å
• α: 78.712 ± 0.002°
• β: 73.88 ± 0.002°
• γ: 76.746 ± 0.002°
• Cell volume: 2526.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No