Information card for entry 7215637

Structure parameters

• Formula: C22 H35 I N2 O2
• Calculated formula: C22 H35 I N2 O2
• SMILES: [I-].[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CCCC)CCCC)cc1.O.O
• Title of publication: Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores
• Authors of publication: Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 48
• Pages of publication: 9163
• a: 8.5069 ± 0.001 Å
• b: 9.9764 ± 0.0014 Å
• c: 15.946 ± 0.002 Å
• α: 87.271 ± 0.009°
• β: 79.544 ± 0.009°
• γ: 65.359 ± 0.01°
• Cell volume: 1209.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No