Information card for entry 7107743

Structure parameters

• Formula: C21 H24 Cl2 Fe N4 O10
• Calculated formula: C21 H24 Cl2 Fe N4 O10
• SMILES: [Fe]123([OH]c4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cccc4)([OH2])[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A fluorescence turn-on H2O2 probe exhibits lysosome-localized fluorescence signals
• Authors of publication: Dayoung Song; Jung Mi Lim; Somin Cho; Su-Jin Park; Jaeheung Cho; Dongmin Kang; Sue Goo Rhee; Youngmin You; Wonwoo Nam
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5449
• a: 11.3781 ± 0.0002 Å
• b: 18.5161 ± 0.0003 Å
• c: 12.4123 ± 0.0002 Å
• α: 90°
• β: 91.217 ± 0.001°
• γ: 90°
• Cell volume: 2614.41 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No