Information card for entry 7029578

Structure parameters

• Formula: C17 H31 K O
• Calculated formula: C17 H31 K O
• SMILES: [K][O]1CCCC1.C=C([CH-]C(=C)C(C)(C)C)C(C)(C)C
• Title of publication: Pentadienyl chemistry of the heavy alkaline-earth metals revisited.
• Authors of publication: Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6614 - 6617
• a: 10.119 ± 0.0002 Å
• b: 10.7148 ± 0.0006 Å
• c: 16.4367 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.12 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No