Information card for entry 7014687

Structure parameters

• Formula: C23 H18 N6 O
• Calculated formula: C23 H18 N6 O
• SMILES: c12c(c(ccc1c1cc(c3ccccn3)nc(c3ccccn3)c1)N(C)C)non2
• Title of publication: A novel terpyridine/benzofurazan hybrid fluorophore: metal sensing behavior and application.
• Authors of publication: Yang, Zhenghao; Yan, Chongchong; Chen, Yuncong; Zhu, Chengcheng; Zhang, Changli; Dong, Xindian; Yang, Weiqi; Guo, Zijian; Lu, Yi; He, Weijiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2173 - 2176
• a: 8.7846 ± 0.0014 Å
• b: 9.1746 ± 0.0015 Å
• c: 12.361 ± 0.002 Å
• α: 90.693 ± 0.003°
• β: 97.346 ± 0.002°
• γ: 107.751 ± 0.002°
• Cell volume: 939.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1313
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No