Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243658
Preview
Coordinates | 2243658.cif |
---|---|
Structure factors | 2243658.hkl |
Original IUCr paper | HTML |
Chemical name | 4-(2-Methoxyphenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 1.698-hydrate |
---|---|
Formula | C15 H25.4 N2 O8.7 |
Calculated formula | C15 H25.396 N2 O8.698 |
Title of publication | Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions |
Authors of publication | Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 11 |
Pages of publication | 1779 - 1793 |
a | 7.479 ± 0.001 Å |
b | 7.065 ± 0.001 Å |
c | 17.788 ± 0.003 Å |
α | 90° |
β | 101.58 ± 0.02° |
γ | 90° |
Cell volume | 920.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
258663 (current) | 2020-10-31 | cif/ hkl/ Adding structures of 2243644, 2243645, 2243646, 2243647, 2243648, 2243649, 2243650, 2243651, 2243652, 2243653, 2243654, 2243655, 2243656, 2243657, 2243658 via cif-deposit CGI script. |
2243658.cif 2243658.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.