Information card for entry 1505256

Structure parameters

• Formula: C41 H43 N11 O14 Zn2
• Calculated formula: C41 H43 N11 O14 Zn2
• SMILES: [Zn]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)Cc1cccc2c1nc1c(c2)cccc1C[N]12[Zn]4([n]5c(C1)cccc5)([n]1c(C2)cccc1)([OH2])ON(=[O]4)=O)(ON(=O)=O)ON(=[O]3)=O.N(=O)(=O)[O-].OCC
• Title of publication: Simple but effective way to sense pyrophosphate and inorganic phosphate by fluorescence changes.
• Authors of publication: Lee, Han Na; Swamy, K. M. K.; Kim, Sook Kyung; Kwon, Ji-Young; Kim, Youngmee; Kim, Sung-Jin; Yoon, Yeo Joon; Yoon, Juyoung
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 243 - 246
• a: 10.437 ± 0.004 Å
• b: 14.854 ± 0.005 Å
• c: 15.209 ± 0.005 Å
• α: 78.149 ± 0.007°
• β: 73.206 ± 0.007°
• γ: 81.63 ± 0.006°
• Cell volume: 2199.8 ± 1.3 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: 0.1754
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.497
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No