Information card for entry 7243366

Structure parameters

• Formula: C27 H28 Cl N3.5 O8.5 Zn
• Calculated formula: C27 H28 Cl N4 O8 Zn
• SMILES: [Zn]1234(Oc5ccccc5C=[N]3Cc3[n]4cccc3)Oc3c(C=[N]1Cc1[n]2cccc1)cccc3.Cl(=O)(=O)(=O)[O-].O.OC
• Title of publication: From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base
• Authors of publication: Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 27.9433 ± 0.0017 Å
• b: 13.2179 ± 0.0008 Å
• c: 31.7637 ± 0.0017 Å
• α: 90°
• β: 107.063 ± 0.002°
• γ: 90°
• Cell volume: 11215.6 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No