Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109833
Preview
| Coordinates | 4109833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pentacene |
|---|---|
| Chemical name | pentacene |
| Formula | C22 H14 |
| Calculated formula | C22 H14 |
| Title of publication | Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films |
| Authors of publication | Stefan Schiefer; Martin Huth; Alexander Dobrinevski; Bert Nickel |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 10316 - 10317 |
| a | 5.958 Å |
| b | 7.596 Å |
| c | 15.6096 Å |
| α | 81.25° |
| β | 86.56° |
| γ | 89.8° |
| Cell volume | 696.952 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Ambient diffracton pressure | 0.00000001 kPa |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.181 Å |
| Diffraction radiation type | synchrotron |
| Suboptimal structure of | 4109822 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215354 (current) | 2019-05-21 | cif/ Removed the _cod_suboptimal_structure data item in preparation for its deprecation. The fact that the structure is a suboptimal one should be derived from the presence of the _cod_related_optimal_struct data item. |
4109833.cif |
| 212006 | 2018-11-16 | cif/4/ (antanas@echidna) Replacing the long forms of the _cod_related_optimal_structure and _cod_related_optimal_structure data names with their shorter equivalents that are formally defined in the 'cif_cod' dictionary in entries 4108791, 4108810, 4109038, 4109039, 4109040, 4109833, 4109834, 4110287, 4113994. |
4109833.cif |
| 178844 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98. |
4109833.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109833.cif |
| 58611 | 2012-05-29 | cif/ Adding structures of 4109833 via cif-deposit CGI script. |
4109833.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.