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Information card for entry 1549156
Preview
Coordinates | 1549156.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H35 B10 N |
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Calculated formula | C25 H35 B10 N |
SMILES | c1c(cc(cc1[B]1234[BH]567[BH]89%10[C]%11%12%13(c%14ccccc%14)[BH]%14%158[BH]8%16%11[B]%111(c1cc(cc(c1)C)C)([C]2%128(CN)[BH]36%10%13)[BH]1%15%16[BH]59%14[BH]47%111)C)C |
Title of publication | Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. |
Authors of publication | Zhang, Xiaolei; Yan, Hong |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 16 |
Pages of publication | 3964 - 3969 |
a | 8.0494 ± 0.0007 Å |
b | 15.8108 ± 0.0012 Å |
c | 20.486 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2607.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1101 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1271 |
Weighted residual factors for all reflections included in the refinement | 0.1429 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
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/1549156.html
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Users of the data should acknowledge the original authors of the
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