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Information card for entry 7225031
Preview
| Coordinates | 7225031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 N3 O2 |
|---|---|
| Calculated formula | C27 H21 N3 O2 |
| SMILES | O=C1C2(n3c4ccccc4nc3NC3=C2C(=O)CC(C3)(C)C)c2cccc3c2c1ccc3 |
| Title of publication | A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel‒Michael-imine pathway: a microwave assisted approach |
| Authors of publication | Maloo, Preeti; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T.; Salunkhe, Manikrao M. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 48 |
| Pages of publication | 41897 |
| a | 9.0977 ± 0.0004 Å |
| b | 11.2713 ± 0.0005 Å |
| c | 11.4682 ± 0.0005 Å |
| α | 118.856 ± 0.0011° |
| β | 92.172 ± 0.0013° |
| γ | 91.338 ± 0.0012° |
| Cell volume | 1028.06 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182381 (current) | 2016-04-28 | cif/ Adding structures of 7225031 via cif-deposit CGI script. |
7225031.cif |
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Users of the data should acknowledge the original authors of the
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