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Information card for entry 4113218
Preview
| Coordinates | 4113218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H11 Cl |
|---|---|
| Calculated formula | C18 H11 Cl |
| SMILES | c1(c2cc3ccccc3cc2cc2ccccc12)Cl |
| Title of publication | Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives |
| Authors of publication | Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 15322 - 15323 |
| a | 10.7752 ± 0.0015 Å |
| b | 14.371 ± 0.002 Å |
| c | 8.067 ± 0.0012 Å |
| α | 90° |
| β | 93.868 ± 0.011° |
| γ | 90° |
| Cell volume | 1246.3 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2112 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections | 0.144 |
| Weighted residual factors for significantly intense reflections | 0.0418 |
| Weighted residual factors for all reflections included in the refinement | 0.0418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1525 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209444 (current) | 2018-08-07 | cif/ Updating _atom_type_symbol data item values to establish relationships between rows in different loops in entries 4113218, 7008277. |
4113218.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4113218.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4113218.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113218.cif |
| 65640 | 2012-09-05 | cif/ Adding structures of 4113218 via cif-deposit CGI script. |
4113218.cif |
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Users of the data should acknowledge the original authors of the
structural data.