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Information card for entry 4510604
Preview
| Coordinates | 4510604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H38 Cl2 N2 O4 |
|---|---|
| Calculated formula | C33 H38 Cl2 N2 O4 |
| Title of publication | Growth and alignment of thin film organic single crystals from dewetting patterns. |
| Authors of publication | Tisserant, Jean-Nicolas; Wicht, Gaëtan; Göbel, Ole F; Bocek, Eva; Bona, Gian-Luca; Geiger, Thomas; Hany, Roland; Mezzenga, Raffaele; Partel, Stefan; Schmid, Peter; Schweizer, Wolfhard Bernd; Heier, Jakob |
| Journal of publication | ACS nano |
| Year of publication | 2013 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 5506 - 5513 |
| a | 23.9162 ± 0.0007 Å |
| b | 16.8152 ± 0.0006 Å |
| c | 15.658 ± 0.0006 Å |
| α | 90° |
| β | 92.811 ± 0.001° |
| γ | 90° |
| Cell volume | 6289.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.106 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.2063 |
| Weighted residual factors for all reflections included in the refinement | 0.2259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.466 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4510604.cif |
| 179653 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06. |
4510604.cif |
| 113079 | 2014-05-08 | cif/ Adding structures of 4510604 via cif-deposit CGI script. |
4510604.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.