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Information card for entry 1516707
Preview
| Coordinates | 1516707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H21 N |
|---|---|
| Calculated formula | C30 H21 N |
| SMILES | [nH]1c2c(c(cc(c2c2ccccc12)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation. |
| Authors of publication | Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 13 |
| Pages of publication | 3592 - 3595 |
| a | 11.0471 ± 0.0014 Å |
| b | 12.0602 ± 0.0015 Å |
| c | 16.587 ± 0.002 Å |
| α | 79.775 ± 0.002° |
| β | 77.726 ± 0.002° |
| γ | 86.565 ± 0.002° |
| Cell volume | 2124.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516707.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516707.cif |
| 119287 | 2014-07-05 | cif/ Updating files of 1516707, 1516708, 1516709 Original log message: Adding full bibliography for 1516707--1516709.cif. |
1516707.cif |
| 118032 | 2014-06-25 | cif/ Adding structures of 1516707, 1516708, 1516709 via cif-deposit CGI script. |
1516707.cif |
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Users of the data should acknowledge the original authors of the
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