Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 7200070
Preview
| Coordinates | 7200070.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 |
|---|---|---|---|
| 1211 (current) | 2025-07-01 | cif/ Adding structures of 7200070, 7200071 via cif-deposit CGI script. |
7200070.cif |
All data in the TESTCOD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.