Information card for entry 1553854

Structure parameters

• Formula: C132 H154 Cl12 N6 O8
• Calculated formula: C132 H154 Cl12 N6 O8
• Title of publication: Novel, linear oligoisoindole compounds with a conjugated electronic structure
• Authors of publication: Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 2364
• a: 9.9153 ± 0.0002 Å
• b: 27.367 ± 0.0005 Å
• c: 23.7531 ± 0.0004 Å
• α: 90°
• β: 93.29 ± 0.002°
• γ: 90°
• Cell volume: 6434.8 ± 0.2 ų
• Cell temperature: 249.9 K
• Ambient diffraction temperature: 249.9 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No