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Information card for entry 4030301
Preview
| Coordinates | 4030301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H48 N2 Si2 |
|---|---|
| Calculated formula | C34 H48 N2 Si2 |
| SMILES | c12ccccc1nc1c(ccc(c1n2)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C |
| Title of publication | Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics. |
| Authors of publication | Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 80 |
| Journal issue | 1 |
| Pages of publication | 582 |
| a | 7.5797 ± 0.0017 Å |
| b | 17.349 ± 0.003 Å |
| c | 26.474 ± 0.004 Å |
| α | 103.24 ± 0.015° |
| β | 98.052 ± 0.015° |
| γ | 93.741 ± 0.015° |
| Cell volume | 3338.2 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2515 |
| Residual factor for significantly intense reflections | 0.093 |
| Weighted residual factors for significantly intense reflections | 0.162 |
| Weighted residual factors for all reflections included in the refinement | 0.2187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4030301.cif |
| 178482 | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03. |
4030301.cif |
| 130716 | 2015-02-04 | cif/ Updating files of 4030300, 4030301 Original log message: Adding full bibliography for 4030300--4030301.cif. |
4030301.cif |
| 128332 | 2014-12-06 | cif/ Adding structures of 4030301 via cif-deposit CGI script. |
4030301.cif |
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