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Information card for entry 4518832
Preview
| Coordinates | 4518832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 N2 O4 S |
|---|---|
| Calculated formula | C32 H24 N2 O4 S |
| SMILES | S(=O)(=O)(n1c2ccccc2c2c(O)c(NC(=O)c3ccccc3)c(cc12)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Synthesis of 4-Hydroxycarbazole Derivatives by Benzannulation of 3-Nitroindoles with Alkylidene Azlactones |
| Authors of publication | Cao, Dongdong; Chen, Gang; Chen, Dingben; Xia, Zhijun; Li, Zongyang; Wang, Yi; Xu, Dongqing; Yang, Jianguo |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| a | 18.9312 ± 0.0009 Å |
| b | 7.1744 ± 0.0003 Å |
| c | 20.7067 ± 0.0009 Å |
| α | 90° |
| β | 113.281 ± 0.001° |
| γ | 90° |
| Cell volume | 2583.4 ± 0.2 Å3 |
| Cell temperature | 293.34 K |
| Ambient diffraction temperature | 293.34 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266688 (current) | 2021-06-26 | cif/ Adding structures of 4518832 via cif-deposit CGI script. |
4518832.cif |
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Users of the data should acknowledge the original authors of the
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