Information card for entry 4071282

Structure parameters

• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: O=C1N(Cc2c1cccc2)c1c(cccc1C(C)C)C(C)C
• Title of publication: From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis
• Authors of publication: Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2337
• a: 18.3891 ± 0.0006 Å
• b: 14.901 ± 0.0005 Å
• c: 12.2811 ± 0.0004 Å
• α: 90°
• β: 94.906 ± 0.002°
• γ: 90°
• Cell volume: 3352.89 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No