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Information card for entry 4072174
Preview
Coordinates | 4072174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H15 B10 N O |
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Calculated formula | C4 H15 B10 N O |
SMILES | O=C(N[B]1234[BH]567[CH]89%10[BH]%11%12%13[BH]%1458[CH]58%12[BH]27%14[BH]248[BH]473[BH]169[BH]%10%114[BH]%13527)C |
Title of publication | Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom |
Authors of publication | Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 22 |
Pages of publication | 5937 |
a | 8.8115 ± 0.0009 Å |
b | 10.4327 ± 0.001 Å |
c | 12.6598 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1163.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.045 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.0992 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/4072174.html
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Users of the data should acknowledge the original authors of the
structural data.