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Information card for entry 2236871
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| Coordinates | 2236871.cif |
|---|---|
| Structure factors | 2236871.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 1-(10<i>H</i>-phenothiazin-10-yl)ethanone |
|---|---|
| Formula | C14 H11 N O S |
| Calculated formula | C14 H11 N O S |
| SMILES | S1c2c(N(c3c1cccc3)C(=O)C)cccc2 |
| Title of publication | 1-(10<i>H</i>-phenothiazin-10-yl)ethanone |
| Authors of publication | Tokunaga, Eri; Okuno, Tsunehisa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3369 |
| a | 21.435 ± 0.006 Å |
| b | 8.897 ± 0.003 Å |
| c | 12.738 ± 0.004 Å |
| α | 90° |
| β | 111.753 ± 0.003° |
| γ | 90° |
| Cell volume | 2256.2 ± 1.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236871.cif 2236871.hkl |
| 181290 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/68. |
2236871.cif 2236871.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236871.cif 2236871.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236871.cif 2236871.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236871.cif 2236871.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236871.cif 2236871.hkl |
| 71132 | 2013-01-18 | cif/ Adding structures of 2236871 via cif-deposit CGI script. |
2236871.cif |
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Users of the data should acknowledge the original authors of the
structural data.