Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2300483
Preview
| Coordinates | 2300483.cif |
|---|---|
| Structure factors | 2300483.hkl |
| Original paper (by DOI) | HTML |
| Common name | 0234 |
|---|---|
| Chemical name | R,S erythro-alpha-2-piperidyl 2,8bis(trifluoromethyl)-4quinolinemethanol hydrochloride |
| Formula | C34 H34 Cl2 F12 N4 O3 |
| Calculated formula | C34 H34 Cl2 F12 N4 O3 |
| Title of publication | Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species |
| Authors of publication | Mendes do Prado, Vânia; Cardoso Seiceira, Rafael; Pitaluga Jr, Altivo; Andrade-Filho, Tarciso; Andrade Alves, Wendel; Reily Rocha, Alexandre; Furlan Ferreira, Fabio |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2014 |
| Journal volume | 47 |
| Journal issue | 4 |
| Pages of publication | 1380 - 1386 |
| a | 24.5663 ± 0.0003 Å |
| b | 24.5663 ± 0.0003 Å |
| c | 6.38601 ± 0.00012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3853.98 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor R(I) for significantly intense reflections | 0.0143 |
| Goodness-of-fit parameter for all reflections | 2.15 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181918 (current) | 2016-04-06 | hkl/2/30/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/30/04 |
2300483.cif 2300483.hkl |
| 181326 | 2016-04-03 | hkl/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/30. |
2300483.cif 2300483.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300483.cif 2300483.hkl |
| 121091 | 2014-08-02 | cif/ hkl/ Adding structures of 2300483 via cif-deposit CGI script. |
2300483.cif 2300483.hkl |
All data in the COD 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.