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Information card for entry 2021001
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| Coordinates | 2021001.cif |
|---|---|
| Structure factors | 2021001.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-dibenzyl-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine |
|---|---|
| Formula | C28 H28 N2 O2 |
| Calculated formula | C28 H28 N2 O2 |
| Title of publication | Crystal structure of N,N′-dibenzyl-3,3′-dimethoxybenzidine |
| Authors of publication | Im, Hansu; Kim, Jineun; Sim, Changeun; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 271 |
| a | 4.7089 ± 0.0002 Å |
| b | 9.676 ± 0.0004 Å |
| c | 12.1952 ± 0.0005 Å |
| α | 93.387 ± 0.003° |
| β | 92.165 ± 0.002° |
| γ | 103.18 ± 0.002° |
| Cell volume | 539.32 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206075 (current) | 2018-02-02 | cif/ hkl/ Adding structures of 2021001 via cif-deposit CGI script. |
2021001.cif 2021001.hkl |
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Users of the data should acknowledge the original authors of the
structural data.