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Information card for entry 1551604
Preview
| Coordinates | 1551604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 N2 O4 |
|---|---|
| Calculated formula | C26 H34 N2 O4 |
| SMILES | C1(=O)C(N2CCN(C3C(=O)C=CC(=CC=3)OCCCC)CC2)=CC=C(C=C1)OCCCC |
| Title of publication | Crystal Structure of <i>N,N</i>′-Bis(5-butoxytropon-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 | 2016 |
| Journal volume | 32 |
| Journal issue | 0 |
| Pages of publication | 37 |
| a | 6.8192 ± 0.0017 Å |
| b | 9.204 ± 0.003 Å |
| c | 10.178 ± 0.003 Å |
| α | 108.65 ± 0.03° |
| β | 106.23 ± 0.02° |
| γ | 92.71 ± 0.03° |
| Cell volume | 574.6 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216215 (current) | 2019-06-20 | cif/ Adding structures of 1551604 via cif-deposit CGI script. |
1551604.cif |
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