Information card for entry 7707826

Structure parameters

• Formula: C26 H21 N5 O2
• Calculated formula: C26 H21 N5 O2
• SMILES: c1ccccc1[C@H]1COC(N=c2c3ccccc3c([nH]2)=NC2=N[C@H](CO2)c2ccccc2)=N1
• Title of publication: Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.
• Authors of publication: Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10041 - 10049
• a: 6.1731 ± 0.0002 Å
• b: 9.1085 ± 0.0003 Å
• c: 37.2539 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2094.7 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No