Information card for entry 7243365

Structure parameters

• Chemical name: ZnSALAMPY
• Formula: C30 H28 N4 O6 Zn2
• Calculated formula: C30 H28 N4 O6 Zn2
• SMILES: [Zn]123([O]([Zn]45([O]=C(O2)C)Oc2c(C=[N]4Cc4[n]5cccc4)cccc2)C(=O)C)Oc2ccccc2C=[N]1Cc1[n]3cccc1
• 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: 23.5031 ± 0.0007 Å
• b: 14.9393 ± 0.0004 Å
• c: 33.0899 ± 0.001 Å
• α: 90°
• β: 106.97 ± 0.003°
• γ: 90°
• Cell volume: 11112.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No