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Information card for entry 2228545
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| Coordinates | 2228545.cif |
|---|---|
| Structure factors | 2228545.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 3-(<i>p</i>-Anisyl)sydnone |
|---|---|
| Chemical name | 3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate |
| Formula | C9 H8 N2 O3 |
| Calculated formula | C9 H8 N2 O3 |
| SMILES | O1N=N(c2ccc(OC)cc2)=CC1=O |
| Title of publication | 3-(<i>p</i>-Anisyl)sydnone |
| Authors of publication | Fun, Hoong-Kun; Goh, Jia Hao; Nithinchandra; Kalluraya, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3252 |
| a | 7.0505 ± 0.0002 Å |
| b | 9.822 ± 0.0003 Å |
| c | 12.0934 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 837.47 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228545.cif 2228545.hkl |
| 181206 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228545.cif 2228545.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228545.cif 2228545.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228545.cif 2228545.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. | 2228545.cif 2228545.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228545.cif 2228545.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228545.cif 2228545.hkl |
| 5798 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228542, 2228543, 2228544, 2228545, 2228546, 2228547, 2228548, 2228549, 2228550, 2228551 via cif-deposit CGI script. |
2228545.cif |
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Users of the data should acknowledge the original authors of the
structural data.