Information card for entry 4001248

Structure parameters

• Formula: C26 H22 N4 O2
• Calculated formula: C26 H22 N4 O2
• SMILES: n1ccc(cc1)c1cc(c2ccncc2)c(cc1c1ccncc1)c1ccncc1.O.O
• Title of publication: In Situ Synthesis of Tetradentate Dye for Construction of Three-Dimensional Homochiral Phosphor.
• Authors of publication: Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui
• Journal of publication: Chemistry of materials : a publication of the American Chemical Society
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 5457 - 5459
• a: 12.6296 ± 0.0017 Å
• b: 6.1333 ± 0.0008 Å
• c: 15.708 ± 0.002 Å
• α: 90°
• β: 113.7°
• γ: 90°
• Cell volume: 1114.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No