Information card for entry 2015438

Structure parameters

• Chemical name: (borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium
• Formula: C24 H36 B K O7
• Calculated formula: C24 H36 B K O7
• SMILES: [BH4-].[K]12345([O]6c7c([O]2CC[O]3CC[O]4c8c([O]5CC[O]1CC6)cccc8)cccc7)[O]1CCCC1
• Title of publication: (Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m275 - m277
• a: 9.5611 ± 0.0004 Å
• b: 9.9657 ± 0.0005 Å
• c: 26.2779 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2503.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes