Information card for entry 7710886

Structure parameters

• Chemical name: 1-(Adamantyl)-3-(2,4,6-trimethylphenyl)-imidazolin-2-yliden
• Formula: C22 H28 N2
• Calculated formula: C22 H28 N2
• SMILES: N1([C]N(C=C1)C12CC3CC(C1)CC(C2)C3)c1c(cc(cc1C)C)C
• Title of publication: Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.
• Authors of publication: Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 30
• Pages of publication: 11448 - 11456
• a: 13.5173 ± 0.0004 Å
• b: 10.3836 ± 0.0002 Å
• c: 12.845 ± 0.0004 Å
• α: 90°
• β: 95.869 ± 0.002°
• γ: 90°
• Cell volume: 1793.45 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No