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Information card for entry 4069250
Preview
Coordinates | 4069250.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2(o-methylphenoxy)-p-carborane |
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Chemical name | 2-(4-methylphenoxy)-1,12-dicarba-closo-dodecaborane |
Formula | C9 H18 B10 O |
Calculated formula | C9 H18 B10 O |
SMILES | [CH]1234[B]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[CH]5%1121)Oc1ccc(cc1)C |
Title of publication | Boron−Oxygen Bond Formation by Palladium-Catalyzed Etheration of 2-Iodo-para-carborane |
Authors of publication | Kabytaev, Kuanysh Z.; Mukhin, Sergey N.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 16 |
Pages of publication | 4758 |
a | 7.046 ± 0.0008 Å |
b | 10.8128 ± 0.0012 Å |
c | 18.763 ± 0.002 Å |
α | 90° |
β | 94.115 ± 0.002° |
γ | 90° |
Cell volume | 1425.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0726 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
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/4069250.html
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