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Information card for entry 4324969
Preview
Coordinates | 4324969.cif |
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Original paper (by DOI) | HTML |
Formula | C4 H21 B10 Cl O2 |
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Calculated formula | C4 H21 B10 Cl O2 |
SMILES | [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[BH]76([B]35([BH]34%10[BH]12([H]%11)[H]3)(OCCOCCCl)[H]7)[H]9 |
Title of publication | Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes |
Authors of publication | William C. Ewing; Patrick J. Carroll; Larry G. Sneddon |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4054 - 4064 |
a | 7.6495 ± 0.0015 Å |
b | 9.7633 ± 0.0019 Å |
c | 11.127 ± 0.003 Å |
α | 104.353 ± 0.012° |
β | 106.187 ± 0.013° |
γ | 109.288 ± 0.009° |
Cell volume | 698.3 ± 0.3 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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