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Information card for entry 7063182
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Coordinates | 7063182.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3ia |
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Formula | C21 H15 Cl N2 O |
Calculated formula | C21 H15 Cl N2 O |
Title of publication | KHMDS Mediated Ring-Opening/Reconstruction of Anthranils with Arylacetonitriles: Synthesis of Multisubstituted 2-Aminoquinoline N-Oxides |
Authors of publication | Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
a | 7.2658 ± 0.0002 Å |
b | 7.9217 ± 0.0002 Å |
c | 29.7691 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1713.43 ± 0.09 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291349 (current) | 2024-04-25 | cif/ Adding structures of 7063181, 7063182 via cif-deposit CGI script. |
7063182.cif |
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Users of the data should acknowledge the original authors of the
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