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Information card for entry 4069249
Preview
Coordinates | 4069249.cif |
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Original paper (by DOI) | HTML |
Common name | 2-methoxy-p-carborane |
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Chemical name | 2-methoxy-1,12-dicarba-closo-dodecaborane |
Formula | C3 H14 B10 O |
Calculated formula | C3 H14 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)OC |
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 | 26.432 ± 0.005 Å |
b | 6.598 ± 0.0017 Å |
c | 12.095 ± 0.002 Å |
α | 90° |
β | 108.445 ± 0.007° |
γ | 90° |
Cell volume | 2001 ± 0.7 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0705 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069249.html
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