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Information card for entry 7054703
Preview
| Coordinates | 7054703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Quinolinone |
|---|---|
| Chemical name | 3,7,7-trimethyl-4-phenyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(4H)-one |
| Formula | C19 H21 N3 O |
| Calculated formula | C19 H21 N3 O |
| SMILES | O=C1C2=C(Nc3n[nH]c(c3C2c2ccccc2)C)CC(C1)(C)C |
| Title of publication | Nickel nanoparticles assisted regioselective synthesis of pyrazoloquinolinone and triazoloquinazolinone derivatives |
| Authors of publication | Singh, Nongthombam Geetmani; Nagarajaprakash, Rammamorthy; Rani, Jims World Star; Kathing, Chingrishon; Nongrum, Ridaphun; Nongkhlaw, Rishanlang |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 5 |
| Pages of publication | 3908 |
| a | 10.1735 ± 0.0011 Å |
| b | 14.3043 ± 0.001 Å |
| c | 11.2897 ± 0.0009 Å |
| α | 90° |
| β | 96.376 ± 0.008° |
| γ | 90° |
| Cell volume | 1632.8 ± 0.2 Å3 |
| Cell temperature | 292.34 ± 0.1 K |
| Ambient diffraction temperature | 292.34 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.1132 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054703.cif |
| 180101 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47. |
7054703.cif |
| 138800 | 2015-06-07 | cif/ Updating files of 7054703, 7054704 Original log message: Adding full bibliography for 7054703--7054704.cif. |
7054703.cif |
| 132473 | 2015-02-26 | cif/ Adding structures of 7054703, 7054704 via cif-deposit CGI script. |
7054703.cif |
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