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Information card for entry 7160595
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Coordinates | 7160595.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H16 N2 O3 |
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Calculated formula | C19 H16 N2 O3 |
Title of publication | Convergent Synthesis of Coumarin C3-C4 Fused Fluorogenic Quinoline Scaffolds via Aldehyde Activation by in-situ Generated Hydrazoic Acid |
Authors of publication | Ganesan, Ranjithkumar; Kamaraj, Sriraghavan |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2025 |
a | 7.7786 ± 0.0006 Å |
b | 14.2417 ± 0.0011 Å |
c | 14.3928 ± 0.0011 Å |
α | 85.179 ± 0.002° |
β | 87.476 ± 0.003° |
γ | 79.599 ± 0.002° |
Cell volume | 1562 ± 0.2 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 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 | 0.0798 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.1456 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300085 (current) | 2025-06-14 | cif/ Adding structures of 7160595, 7160596, 7160597, 7160598 via cif-deposit CGI script. |
7160595.cif |
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Users of the data should acknowledge the original authors of the
structural data.