Information card for entry 4314053

Structure parameters

• Common name: [K(DBP)]infinite
• Formula: C14 H21 K O
• Calculated formula: C14 H21 K O
• SMILES: [K+].[O-]c1c(cccc1C(C)(C)C)C(C)(C)C
• Title of publication: Structural Variations of Potassium Aryloxides
• Authors of publication: Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5357 - 5366
• a: 6.8444 ± 0.0018 Å
• b: 12.333 ± 0.003 Å
• c: 16.208 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.1 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No