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Information card for entry 7225078
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| Coordinates | 7225078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Spirooxindole |
|---|---|
| Chemical name | 2'-amino-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile |
| Formula | C20 H11 N3 O4 |
| Calculated formula | C20 H11 N3 O4 |
| SMILES | o1c2c(C3OC(=C(C4(C=3C1=O)c1ccccc1NC4=O)C#N)N)cccc2 |
| Title of publication | Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions |
| Authors of publication | Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 15 |
| Pages of publication | 4216 |
| a | 10.3603 ± 0.0015 Å |
| b | 13.054 ± 0.002 Å |
| c | 14.655 ± 0.003 Å |
| α | 75.239 ± 0.015° |
| β | 84.652 ± 0.014° |
| γ | 69.915 ± 0.014° |
| Cell volume | 1800 ± 0.6 Å3 |
| Cell temperature | 291.6 ± 0.2 K |
| Ambient diffraction temperature | 291.6 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1796 |
| Residual factor for significantly intense reflections | 0.0942 |
| Weighted residual factors for significantly intense reflections | 0.2287 |
| Weighted residual factors for all reflections included in the refinement | 0.2954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9953 |
| 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 |
|---|---|---|---|
| 193656 (current) | 2017-03-04 | cif/7: Fixing Z values and formulae |
7225078.cif |
| 185554 | 2016-08-07 | cif/ Updating files of 7225077, 7225078 Original log message: Adding full bibliography for 7225077--7225078.cif. |
7225078.cif |
| 182450 | 2016-05-03 | cif/ Adding structures of 7225077, 7225078 via cif-deposit CGI script. |
7225078.cif |
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Users of the data should acknowledge the original authors of the
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