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Information card for entry 1551638
Preview
| Coordinates | 1551638.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H50 N2 O4 |
|---|---|
| Calculated formula | C34 H50 N2 O4 |
| SMILES | C1(=O)C(=CC=C(C=C1)OCCCCCCCC)N1CCN(C2C(=O)C=CC(=CC=2)OCCCCCCCC)CC1 |
| Title of publication | Crystal Structure of <i>N</i>,<i>N</i>′-Bis(5-octyloxytropon-2-yl)piperazine |
| Authors of publication | KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2015 |
| Journal volume | 31 |
| Journal issue | 0 |
| Pages of publication | 43 |
| a | 31.61 ± 0.02 Å |
| b | 7.686 ± 0.005 Å |
| c | 12.807 ± 0.008 Å |
| α | 90° |
| β | 97.643 ± 0.019° |
| γ | 90° |
| Cell volume | 3084 ± 3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.2148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216249 (current) | 2019-06-20 | cif/ Adding structures of 1551638 via cif-deposit CGI script. |
1551638.cif |
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