Information card for entry 7026567

Structure parameters

• Formula: C11 H15 N
• Calculated formula: C11 H15 N
• SMILES: N(C1=C2C=CC=C2C(C1)C)(C)C
• Title of publication: Zirconocene complexes bearing novel 3-dimethylamino-1,2-dihydropentalene derived ligand systems.
• Authors of publication: Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Nauha, Elisa; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9973 - 9981
• a: 8.22 ± 0.0012 Å
• b: 13.0061 ± 0.0012 Å
• c: 18.295 ± 0.002 Å
• α: 90°
• β: 101.899 ± 0.005°
• γ: 90°
• Cell volume: 1913.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1274
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No