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Information card for entry 4324968
Preview
Coordinates | 4324968.cif |
---|---|
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[B]76([BH]35([BH]34%10[BH]12([H]%11)[H]3)[H]7)(OCCOCCCl)[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 | 8.2214 ± 0.001 Å |
b | 19.411 ± 0.002 Å |
c | 9.2205 ± 0.0011 Å |
α | 90° |
β | 103.768 ± 0.005° |
γ | 90° |
Cell volume | 1429.2 ± 0.3 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0265 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0682 |
Weighted residual factors for all reflections included in the refinement | 0.0703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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