Information card for entry 4080014

Structure parameters

• Formula: C25 H43 K O6
• Calculated formula: C25 H43 K O6
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.C=C([CH-]C1=CC[C@H]2C[C@@H]1C2(C)C)C
• Title of publication: Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand
• Authors of publication: Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 874
• a: 9.6598 ± 0.0003 Å
• b: 13.2279 ± 0.0003 Å
• c: 20.7805 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2655.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No