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Information card for entry 7042154
Preview
| Coordinates | 7042154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42.5 H50 B2 N2 O4 |
|---|---|
| Calculated formula | C42.5 H50 B2 N2 O4 |
| SMILES | C1(N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[B]1(B2Oc3c(O2)cccc3)Oc2ccccc2O1.Cc1ccccc1 |
| Title of publication | B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2. |
| Authors of publication | Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 11 |
| Pages of publication | 3661 - 3680 |
| a | 12.395 ± 0.002 Å |
| b | 14.186 ± 0.002 Å |
| c | 23.45 ± 0.004 Å |
| α | 90.354 ± 0.004° |
| β | 96.904 ± 0.004° |
| γ | 98.937 ± 0.004° |
| Cell volume | 4042.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202518 (current) | 2017-11-02 | cif/7 Fixing some Z values and formulae |
7042154.cif |
| 195114 | 2017-04-05 | cif/ Updating files of 7042146, 7042147, 7042148, 7042149, 7042150, 7042151, 7042152, 7042153, 7042154, 7042155, 7042156, 7042157, 7042158, 7042159, 7042160 Original log message: Adding full bibliography for 7042146--7042160.cif. |
7042154.cif |
| 192439 | 2017-02-22 | cif/ Adding structures of 7042146, 7042147, 7042148, 7042149, 7042150, 7042151, 7042152, 7042153, 7042154, 7042155, 7042156, 7042157, 7042158, 7042159, 7042160 via cif-deposit CGI script. |
7042154.cif |
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