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Information card for entry 7151421
Preview
| Coordinates | 7151421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H14 S |
|---|---|
| Calculated formula | C15 H14 S |
| SMILES | s1c2c3ccc(ccc3cc2cc1)C(C)C |
| Title of publication | Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/ |
| Authors of publication | Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 14 |
| Pages of publication | 2572 |
| a | 9.228 ± 0.004 Å |
| b | 6.064 ± 0.002 Å |
| c | 22.113 ± 0.009 Å |
| α | 90° |
| β | 106.348 ± 0.005° |
| γ | 90° |
| Cell volume | 1187.4 ± 0.8 Å3 |
| Cell temperature | 173.2 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151421.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151421.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151421.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151421.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151421.cif |
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