Information card for entry 2208488

Structure parameters

• Chemical name: Bis(2,3-dibromo-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa- benzocyclopentadecene)hydroxonium tribromide
• Formula: C28 H39 Br7 O11
• Calculated formula: C28 H39 Br7 O11
• SMILES: Brc1cc2OCCOCCOCCOCCOc2cc1Br.Brc1cc2OCCOCCOCCOCCOc2cc1Br.Br[Br-]Br.[OH3+]
• Title of publication: Bis(2,3-dibromo-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxabenzocyclopentadecene) hydroxonium tribromide
• Authors of publication: Saleh, M. Idiris; Kusrini, Eny.; Ngah, Nurziana; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1654 - o1656
• a: 12.568 ± 0.003 Å
• b: 13.59 ± 0.003 Å
• c: 13.829 ± 0.003 Å
• α: 70.697 ± 0.004°
• β: 66.718 ± 0.004°
• γ: 67.601 ± 0.004°
• Cell volume: 1960.4 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes