Information card for entry 4330299

Structure parameters

• Formula: C44 H36 N8 O6
• Calculated formula: C44 H36 N8 O6
• SMILES: C1COc2c(OCCOCCOc3c(OCCO1)cc1c(c3)nc(c3ncccc3)c(n1)c1ncccc1)cc1c(c2)nc(c2ncccc2)c(n1)c1ncccc1
• Title of publication: Ratiometric and Selective Fluorescent Sensor for Zn2+ as an "Off-On-Off" Switch and Logic Gate
• Authors of publication: Ya-Ping Li; Hua-Rong Yang; Qiang Zhao; Wei-Chao Song; Jie Han; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9642 - 9648
• a: 10.491 ± 0.002 Å
• b: 14.109 ± 0.003 Å
• c: 12.903 ± 0.003 Å
• α: 90°
• β: 101.82 ± 0.03°
• γ: 90°
• Cell volume: 1869.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2011
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No