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Information card for entry 1551602
Preview
| Coordinates | 1551602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H42 N2 O4 |
|---|---|
| Calculated formula | C30 H42 N2 O4 |
| SMILES | c1(ccc(cc1)OCCCCCC)C(=O)N1CCN(C(=O)c2ccc(cc2)OCCCCCC)CC1 |
| Title of publication | Crystal Structure of <i>N,N</i>′-Bis(4-hexyloxybenzoyl)piperazine |
| Authors of publication | KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2016 |
| Journal volume | 32 |
| Journal issue | 0 |
| Pages of publication | 19 |
| a | 27.234 ± 0.007 Å |
| b | 7.4964 ± 0.0017 Å |
| c | 6.8201 ± 0.0018 Å |
| α | 90° |
| β | 93.803 ± 0.018° |
| γ | 90° |
| Cell volume | 1389.3 ± 0.6 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.829 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216213 (current) | 2019-06-20 | cif/ Adding structures of 1551602 via cif-deposit CGI script. |
1551602.cif |
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Users of the data should acknowledge the original authors of the
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