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Information card for entry 1520505
Preview
| Coordinates | 1520505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 I N O |
|---|---|
| Calculated formula | C20 H16 I N O |
| SMILES | Ic1c(c2n(c3ccccc3c2cc1)C)c1ccc(OC)cc1 |
| Title of publication | Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization. |
| Authors of publication | Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 3186 - 3189 |
| a | 7.2355 ± 0.0005 Å |
| b | 20.9295 ± 0.0019 Å |
| c | 23.0167 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3485.5 ± 0.5 Å3 |
| Cell temperature | 293.1 ± 0.12 K |
| Ambient diffraction temperature | 293.1 ± 0.12 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520505.cif |
| 140275 | 2015-07-05 | cif/ Updating files of 1520504, 1520505 Original log message: Adding full bibliography for 1520504--1520505.cif. |
1520505.cif |
| 139057 | 2015-06-11 | cif/ Adding structures of 1520505 via cif-deposit CGI script. |
1520505.cif |
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Users of the data should acknowledge the original authors of the
structural data.