Information card for entry 1507435

Structure parameters

• Formula: C50 H66 N4 O2
• Calculated formula: C50 H66 N4 O2
• Title of publication: Suzuki Coupling Approach for the Synthesis of Phenylene−Pyrimidine Alternating Oligomers for Blue Light-Emitting Material
• Authors of publication: Wong, Ken-Tsung; Hung, Tsung Shi; Lin, Yuting; Wu, Chung-Chih; Lee, Gene-Hsiang; Peng, Shie-Ming; Chou, Chung Hsien; Su, Yuhlong Oliver
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 513
• a: 8.4503 ± 0.0004 Å
• b: 8.5384 ± 0.0005 Å
• c: 15.8256 ± 0.0008 Å
• α: 93.928 ± 0.001°
• β: 94.197 ± 0.001°
• γ: 106.882 ± 0.001°
• Cell volume: 1084.88 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1336
• Weighted residual factors for significantly intense reflections: 0.1169
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No