Information card for entry 7045455

Structure parameters

• Formula: C23 H19 N Se
• Calculated formula: C23 H19 N Se
• SMILES: [Se](c1ccccc1)CC/N=C/c1c2ccccc2cc2ccccc12
• Title of publication: Base free N-alkylation of anilines with ArCH₂OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η⁵-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.
• Authors of publication: Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3764 - 3774
• a: 18.368 ± 0.005 Å
• b: 5.178 ± 0.0014 Å
• c: 20.341 ± 0.005 Å
• α: 90°
• β: 110.958 ± 0.006°
• γ: 90°
• Cell volume: 1806.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No