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Information card for entry 7209086
Preview
| Coordinates | 7209086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | from D:/data/P.Sapui/gsas_26052012/ps1.cif |
|---|---|
| Formula | C21 H18 Cl N O6 |
| Calculated formula | C21 H18 Cl N O6 |
| Title of publication | Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons |
| Authors of publication | Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 34 |
| a | 22.5733 ± 0.0013 Å |
| b | 4.89448 ± 0.00021 Å |
| c | 18.3874 ± 0.0009 Å |
| α | 90° |
| β | 108.519 ± 0.0027° |
| γ | 90° |
| Cell volume | 1926.33 ± 0.17 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| RFsqd | 0.06165 |
| Goodness-of-fit parameter for all reflections | 2.31 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180421 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/90. |
7209086.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7209086.cif |
| 73579 | 2013-02-20 | cif/ Adding structures of 7209086, 7209087 via cif-deposit CGI script. |
7209086.cif |
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Users of the data should acknowledge the original authors of the
structural data.