Information card for entry 7053807

Structure parameters

• Formula: C50 H52 Br2 N4 O2
• Calculated formula: C50 H52 Br2 N4 O2
• SMILES: c1[n+](c2c(cccc2)n1Cc1c(C)c(c(c(C)c1C)Cn1c[n+](c2c1cccc2)Cc1cccc2ccccc12)C)Cc1cccc2ccccc12.OC.[Br-].OC.[Br-]
• Title of publication: Conformational switching fluorescent chemodosimeter for the selective detection of silver(i) ions
• Authors of publication: Zhang, Hui; Xie, Lixia; Yan, Wenbo; He, Cheng; Cao, Xin; Duan, Chunying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1478
• a: 10.8056 ± 0.0009 Å
• b: 12.5425 ± 0.0011 Å
• c: 16.8485 ± 0.0014 Å
• α: 90°
• β: 96.964 ± 0.002°
• γ: 90°
• Cell volume: 2266.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1645
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No