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Information card for entry 4034536
Preview
| Coordinates | 4034536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 N2 O |
|---|---|
| Calculated formula | C10 H10 N2 O |
| SMILES | O=C1Nc2c(C\1=C(N)/C)cccc2 |
| Title of publication | Transition-Metal-Free Addition Reaction for the Synthesis of 3-(Aminobenzylidene/aminoalkylidene)indolin-2-ones and Its Synthetic Applications. |
| Authors of publication | Bisht, Girish Singh; Gnanaprakasam, Boopathy |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 21 |
| Pages of publication | 13516 - 13527 |
| a | 45.984 ± 0.003 Å |
| b | 14.1262 ± 0.0009 Å |
| c | 15.9483 ± 0.001 Å |
| α | 90° |
| β | 92.21 ± 0.003° |
| γ | 90° |
| Cell volume | 10352 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223035 (current) | 2019-11-04 | cif/ Adding structures of 4034536 via cif-deposit CGI script. |
4034536.cif |
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