Information card for entry 7707827

Structure parameters

• Chemical name: 1,3-bis(4,5-dihydro-4-(S)-iso-propyloxazol-2-ylimino)isoindoline
• Formula: C20 H25 N5 O2
• Calculated formula: C20 H25 N5 O2
• SMILES: O1C[C@@H](N=C1N=C1NC(=NC2=N[C@H](CO2)C(C)C)c2c1cccc2)C(C)C
• 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: 9.2785 ± 0.0004 Å
• b: 10.8229 ± 0.0004 Å
• c: 11.2472 ± 0.0004 Å
• α: 100.313 ± 0.002°
• β: 109.063 ± 0.002°
• γ: 110.537 ± 0.002°
• Cell volume: 943.06 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No