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Information card for entry 1546694
Preview
| Coordinates | 1546694.cif |
|---|---|
| Structure factors | 1546694.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole |
|---|---|
| Formula | C72 H80 N6 O9 |
| Calculated formula | C72 H80 N6 O9 |
| Title of publication | 1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent |
| Authors of publication | Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | x170462 |
| a | 26.3932 ± 0.0005 Å |
| b | 26.3932 ± 0.0005 Å |
| c | 24.827 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14977.5 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1707 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.2217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.846 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199288 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546694 via cif-deposit CGI script. |
1546694.cif 1546694.hkl |
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Users of the data should acknowledge the original authors of the
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