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Information card for entry 1506849
Preview
| Coordinates | 1506849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C9 H10 N2 O S3 |
|---|---|
| Calculated formula | C9 H10 N2 O S3 |
| SMILES | S1C2SC3SC1CC(C2)(C3)C(=O)C=N#N |
| Title of publication | Photochemical Patterning of a Self-Assembled Monolayer of 7-Diazomethylcarbonyl-2,4,9-trithiaadmantane on Gold Films via Wolff Rearrangement |
| Authors of publication | Hu, Jun; Liu, Yubiao; Khemtong, Chalermchai; El Khoury, Jouliana M.; McAfoos, Timothy J.; Taschner, Ian S. |
| Journal of publication | Langmuir |
| Year of publication | 2004 |
| Journal volume | 20 |
| Journal issue | 12 |
| Pages of publication | 4933 |
| a | 7.3568 ± 0.0014 Å |
| b | 9.8242 ± 0.0018 Å |
| c | 15.334 ± 0.003 Å |
| α | 87.701 ± 0.003° |
| β | 87.867 ± 0.003° |
| γ | 87.491 ± 0.003° |
| Cell volume | 1105.6 ± 0.4 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506849.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506849.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506849.cif |
| 51489 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506849 via cif-deposit CGI script. |
1506849.cif |
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Users of the data should acknowledge the original authors of the
structural data.