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Information card for entry 7227670
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Coordinates | 7227670.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | RJ-17 |
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Formula | C23 H21 Cl N2 |
Calculated formula | C23 H21 Cl N2 |
SMILES | Clc1ccc(C2=Nc3c(NC(c4ccccc4)C2)cc(c(c3)C)C)cc1 |
Title of publication | Graphite oxide: a metal free highly efficient carbocatalyst for the synthesis of 1,5-benzodiazepines under room temperature and solvent free heating conditions |
Authors of publication | Jamatia, Ramen; Gupta, Ajay; Dam, Binoyargha; Saha, Mithu; Pal, Amarta Kumar |
Journal of publication | Green Chem. |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 6 |
Pages of publication | 1576 |
a | 6.0657 ± 0.0004 Å |
b | 11.6494 ± 0.001 Å |
c | 14.2527 ± 0.0012 Å |
α | 104.148 ± 0.007° |
β | 102.007 ± 0.006° |
γ | 92.918 ± 0.006° |
Cell volume | 949.69 ± 0.14 Å3 |
Cell temperature | 296.9 ± 0.6 K |
Ambient diffraction temperature | 296.9 ± 0.6 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 | 0.084562 |
Residual factor for significantly intense reflections | 0.056699 |
Weighted residual factors for all reflections included in the refinement | 0.138382 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04758 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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