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Information card for entry 7030922
Preview
Coordinates | 7030922.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 B2 Br2 Cl2 N6 |
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Calculated formula | C16 H16 B2 Br2 Cl2 N6 |
SMILES | [B]12(n3ccc[n]3[BH]([n]3cccn13)[n]1cccn21)c1ccc(Br)cc1.[Br-].C(Cl)Cl |
Title of publication | Synthesis and characterisation of the complete series of B-N analogues of triptycene. |
Authors of publication | Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 22 |
Pages of publication | 8241 - 8253 |
a | 12.0607 ± 0.0005 Å |
b | 9.6544 ± 0.0006 Å |
c | 18.188 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2117.79 ± 0.18 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
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/7030922.html
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Users of the data should acknowledge the original authors of the
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