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Information card for entry 4072978
Preview
| Coordinates | 4072978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-(1,12-dicarba-closo-dodecaboran-2-yl)carbazole |
|---|---|
| Formula | C14 H19 B10 N |
| Calculated formula | C14 H19 B10 N |
| SMILES | n1(c2ccccc2c2ccccc12)[B]1234[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[CH]%11%12%13[BH]38([BH]91%11[BH]%1052%12)[BH]467%13 |
| Title of publication | Palladium-Catalyzed Amination of 2-Iodo-para-carborane |
| Authors of publication | Beletskaya, Irina P.; Bregadze, Vladimir I.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Petrovskii, Pavel V.; Glukhov, Ivan V.; Starikova, Zoya A. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 9 |
| Pages of publication | 2340 |
| a | 13.922 ± 0.004 Å |
| b | 7.835 ± 0.002 Å |
| c | 15.145 ± 0.004 Å |
| α | 90° |
| β | 90.42 ± 0.005° |
| γ | 90° |
| Cell volume | 1652 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.078 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178618 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/29. |
4072978.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072978.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072978.cif |
| 46097 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072978 via cif-deposit CGI script. |
4072978.cif |
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