Information card for entry 2215058

Structure parameters

• Chemical name: Dicyclohexano-18-crown-6 hydroxonium tribromide
• Formula: C20 H39 Br3 O7
• Calculated formula: C20 H39 Br3 O7
• SMILES: [Br-](Br)Br.O1CCOCCO[C@H]2CCCC[C@H]2OCCOCCO[C@@H]2CCCC[C@H]12.[OH3+]
• Title of publication: Dicyclohexano-18-crown-6 hydroxonium tribromide
• Authors of publication: Muhammad Idiris Saleh; Eny Kusrini; Hoong-Kun Fun; Jeannie Bee-Jan Teh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3790 - o3791
• a: 8.2703 ± 0.0009 Å
• b: 13.1939 ± 0.0014 Å
• c: 23.363 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2549.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0815
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes