Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239365
Preview
| Coordinates | 2239365.cif |
|---|---|
| Structure factors | 2239365.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | (<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine |
|---|---|
| Chemical name | (<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine |
| Formula | C26 H28 N2 |
| Calculated formula | C26 H28 N2 |
| SMILES | c1ccc(cc1)/C=C\CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |
| Title of publication | (<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine |
| Authors of publication | Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o576 |
| a | 8.7823 ± 0.0003 Å |
| b | 9.6068 ± 0.0003 Å |
| c | 12.4894 ± 0.0004 Å |
| α | 90° |
| β | 94.834 ± 0.003° |
| γ | 90° |
| Cell volume | 1049.98 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239365.cif 2239365.hkl |
| 181893 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239365.cif 2239365.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239365.cif 2239365.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239365.cif 2239365.hkl |
| 110439 | 2014-04-19 | cif/ hkl/ Adding structures of 2239365 via cif-deposit CGI script. |
2239365.cif 2239365.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.