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Information card for entry 2208488
Preview
Coordinates | 2208488.cif |
---|---|
Structure factors | 2208488.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(2,3-dibromo-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa- benzocyclopentadecene)hydroxonium tribromide |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/2208488.html
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