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Information card for entry 2020639
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| Coordinates | 2020639.cif |
|---|---|
| Structure factors | 2020639.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate |
|---|---|
| Formula | C21 H17 N O2 |
| Calculated formula | C21 H17 N O2 |
| Title of publication | Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate: fivefold superstructure with ten crystallographically independent molecules refined from a twinned crystal |
| Authors of publication | Lifshits, Liubov M.; Singh, Varun; Zeller, Matthias; Klosterman, Jeremy K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 901 - 909 |
| a | 16.4815 ± 0.0009 Å |
| b | 24.8758 ± 0.0014 Å |
| c | 39.975 ± 0.002 Å |
| α | 90° |
| β | 90.0317 ± 0.0019° |
| γ | 90° |
| Cell volume | 16389.4 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for significantly intense reflections | 0.2265 |
| Weighted residual factors for all reflections included in the refinement | 0.2392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188943 (current) | 2016-12-06 | cif/ Updating files of 2020639 Original log message: Adding full bibliography for 2020639.cif. |
2020639.cif 2020639.hkl |
| 187526 | 2016-10-25 | cif/ hkl/ Adding structures of 2020639 via cif-deposit CGI script. |
2020639.cif 2020639.hkl |
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Users of the data should acknowledge the original authors of the
structural data.