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Information card for entry 1552301
Preview
| Coordinates | 1552301.cif |
|---|---|
| Structure factors | 1552301.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine |
|---|---|
| Formula | C34 H35 N O4 |
| Calculated formula | C34 H35 N O4 |
| SMILES | O(c1cc(c2c3CCc4ccccc4c3nc3c2CCc2ccccc32)ccc1OCCOCCOC)CC |
| Title of publication | 7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine |
| Authors of publication | Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | x191205 |
| a | 9.1797 ± 0.0013 Å |
| b | 30.203 ± 0.004 Å |
| c | 11.0131 ± 0.0016 Å |
| α | 90° |
| β | 111.056 ± 0.002° |
| γ | 90° |
| Cell volume | 2849.6 ± 0.7 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218074 (current) | 2019-09-07 | cif/ hkl/ Adding structures of 1552301 via cif-deposit CGI script. |
1552301.cif 1552301.hkl |
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Users of the data should acknowledge the original authors of the
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