Information card for entry 7215545

Structure parameters

• Formula: C31 H32 N6 O3
• Calculated formula: C31 H31 N6 O3
• Title of publication: Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores
• Authors of publication: Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 589 - 596
• a: 21.2261 ± 0.0018 Å
• b: 7.0551 ± 0.0006 Å
• c: 19.115 ± 0.0016 Å
• α: 90°
• β: 99.781 ± 0.001°
• γ: 90°
• Cell volume: 2820.9 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1084
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7200270
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No