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Information card for entry 7227339
Preview
| Coordinates | 7227339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H10 N2 O |
|---|---|
| Calculated formula | C16 H10 N2 O |
| SMILES | O=C1C(=Nc2c1cccc2)c1c2ccccc2[nH]c1 |
| Title of publication | TEMPO-catalyzed oxidative homocoupling route to 3,2′-biindolin-2-ones via an indolin-3-one intermediate |
| Authors of publication | Yin, Bo; Huang, Panpan; Lu, Yingbing; Liu, Liangxian |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 606 |
| a | 24.4406 ± 0.0008 Å |
| b | 4.3182 ± 0.0002 Å |
| c | 11.0826 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1169.65 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1002 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189817 (current) | 2017-01-04 | cif/ Adding structures of 7227339 via cif-deposit CGI script. |
7227339.cif |
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