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Information card for entry 7224309
Preview
| Coordinates | 7224309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CS1-4FBA |
|---|---|
| Chemical name | 3-(4-fluorobenzyl)-4-(1H-indol-3-yl)-3,4-dihydroquinazolin-2(1H)-one |
| Formula | C23 H18 F N3 O |
| Calculated formula | C23 H18 F N3 O |
| SMILES | Fc1ccc(CN2C(=O)Nc3ccccc3C2c2c3ccccc3[nH]c2)cc1 |
| Title of publication | Hydrophobically directed, catalyst-free, multi-component synthesis of functionalized 3, 4-dihydroquinazolin-2(1H)-ones |
| Authors of publication | Daggupati, Ramana Venkata; Botla, Vinayak; kumar, V Dileep; USN, Murthy; Chowhan, Raju; Malapaka, Chandrasekharam |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.0737 ± 0.0006 Å |
| b | 18.081 ± 0.0011 Å |
| c | 12.2682 ± 0.0007 Å |
| α | 90° |
| β | 111.185 ± 0.004° |
| γ | 90° |
| Cell volume | 1876.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.1792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176721 (current) | 2016-02-18 | cif/ Adding structures of 7224309 via cif-deposit CGI script. |
7224309.cif |
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