Information card for entry 4084030

Structure parameters

• Formula: C24 H41 K O6
• Calculated formula: C24 H41 K O6
• SMILES: [K]1234567(C[CH]1=[CH]2C1=CC[C@H]2C[C@@H]1C2(C)C)[O]1CC[O]4CC[O]5CC[O]6CC[O]7CC[O]3CC1
• Title of publication: Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal
• Authors of publication: Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3792
• a: 10.3222 ± 0.0002 Å
• b: 14.4954 ± 0.0003 Å
• c: 17.0039 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2544.2 ± 0.09 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: 0.0382
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No