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Information card for entry 7709036
Preview
Coordinates | 7709036.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H22 B10 |
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Calculated formula | C12 H22 B10 |
SMILES | [C]1234([C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)CC(=C)c1ccccc1 |
Title of publication | Light-enabled alkenylation of iodocarboranes with unactivated alkenes. |
Authors of publication | Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 51 |
Journal issue | 1 |
Pages of publication | 104 - 110 |
a | 11.7028 ± 0.0005 Å |
b | 11.9322 ± 0.0006 Å |
c | 12.0721 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1685.75 ± 0.14 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0965 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.214 |
Weighted residual factors for all reflections included in the refinement | 0.2315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7709036.html
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Users of the data should acknowledge the original authors of the
structural data.