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Information card for entry 1529455
Preview
| Coordinates | 1529455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NZ-105 |
|---|---|
| Chemical name | efonidipine hydrochloride ethanolate |
| Formula | C36 H45 Cl N3 O8 P |
| Calculated formula | C36 H44 Cl N3 O8 P |
| Title of publication | Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate |
| Authors of publication | Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 38 |
| Pages of publication | 7430 |
| a | 11.4763 ± 0.0011 Å |
| b | 11.9281 ± 0.0012 Å |
| c | 15.1054 ± 0.0015 Å |
| α | 87.156 ± 0.005° |
| β | 78.155 ± 0.005° |
| γ | 64.918 ± 0.004° |
| Cell volume | 1831.3 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
1529455.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529455.cif |
| 171013 | 2015-12-09 | cif/ Updating files of 1529454, 1529455 Original log message: Adding full bibliography for 1529454--1529455.cif. |
1529455.cif |
| 153636 | 2015-08-25 | cif/ Adding structures of 1529454, 1529455 via cif-deposit CGI script. |
1529455.cif |
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