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Information card for entry 7103477
Preview
Coordinates | 7103477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H40 B10 |
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Calculated formula | C24 H40 B10 |
SMILES | [C]1234([BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[C]168([BH]734[BH]5%1121)C1(CCCCC1)C1=CCC=C1)C1(CCCCC1)C1=CCC=C1 |
Title of publication | Unprecedented steric deformation of ortho-carborane. |
Authors of publication | Hutton, Brian W; MacIntosh, Fraser; Ellis, David; Herisse, Fabien; Macgregor, Stuart A; McKay, David; Petrie-Armstrong, Victoria; Rosair, Georgina M; Perekalin, Dmitry S; Tricas, Hugo; Welch, Alan J |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 42 |
Pages of publication | 5345 - 5347 |
a | 21.315 ± 0.004 Å |
b | 8.1515 ± 0.0016 Å |
c | 15.649 ± 0.003 Å |
α | 90° |
β | 112.03 ± 0.03° |
γ | 90° |
Cell volume | 2520.6 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1515 |
Weighted residual factors for all reflections included in the refinement | 0.1568 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
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/7103477.html
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Users of the data should acknowledge the original authors of the
structural data.