Information card for entry 7110312

Structure parameters

• Formula: C16 H23 Cl N2 O
• Calculated formula: C16 H23 Cl N2 O
• SMILES: OC(Cn1c[n+](cc1)C(C)(C)C)(C)c1ccccc1.[Cl-]
• Title of publication: Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/
• Authors of publication: Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 1612 - 1613
• a: 11.2459 ± 0.0006 Å
• b: 11.3574 ± 0.0006 Å
• c: 14.0301 ± 0.0007 Å
• α: 108.942 ± 0.002°
• β: 91.217 ± 0.002°
• γ: 102.273 ± 0.002°
• Cell volume: 1648.29 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No