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Information card for entry 1555478
Preview
| Coordinates | 1555478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 N O |
|---|---|
| Calculated formula | C23 H21 N O |
| SMILES | O1Cc2c(c3ccccc3)cc3n(c4c(c3c2C1CC)cccc4)C |
| Title of publication | Synthesis of Fused Carbazoles by Gold-Catalyzed Tricyclization of Conjugated Diynes via Rearrangement of an N-Propargyl Group. |
| Authors of publication | Taguchi, Masamitsu; Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 6250 - 6253 |
| a | 12.2975 ± 0.0008 Å |
| b | 14.2131 ± 0.0009 Å |
| c | 10.3046 ± 0.0007 Å |
| α | 90° |
| β | 107.61 ± 0.005° |
| γ | 90° |
| Cell volume | 1716.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238758 (current) | 2019-11-24 | cif/ Adding structures of 1555478 via cif-deposit CGI script. |
1555478.cif |
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