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Information card for entry 7209250
Preview
| Coordinates | 7209250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | XST-FG-3 |
|---|---|
| Formula | C25 H20 N2 O2 |
| Calculated formula | C25 H20 N2 O2 |
| SMILES | O=N(=O)CC1c2c3ccccc3[nH]c2C(=Cc2c1cccc2)c1ccc(C)cc1 |
| Title of publication | Gold-catalyzed Michael addition/intramolecular annulation cascade: an effective pathway for the chemoselective- and regioselective synthesis of tetracyclic indole derivatives in water |
| Authors of publication | Xu, Shengtao; Zhou, Yu; Xu, Jinyi; Jiang, Hualiang; Liu, Hong |
| Journal of publication | Green Chemistry |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 718 |
| a | 20.8671 ± 0.0008 Å |
| b | 10.4343 ± 0.0004 Å |
| c | 18.53 ± 0.0007 Å |
| α | 90° |
| β | 101.947 ± 0.002° |
| γ | 90° |
| Cell volume | 3947.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7209250.cif |
| 180423 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/92. |
7209250.cif |
| 75560 | 2013-03-10 | cif/ Adding structures of 7209250 via cif-deposit CGI script. |
7209250.cif |
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Users of the data should acknowledge the original authors of the
structural data.