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Information card for entry 1555653
Preview
Coordinates | 1555653.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H13 N3 O S |
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Calculated formula | C14 H13 N3 O S |
SMILES | s1c(C=N2=NC(=O)N(C2c2ccccc2)C)ccc1 |
Title of publication | Synthesis of Cyclic Azomethine Imines by Cycloaddition Reactions of N-Isocyanates and N-Isothiocyanates. |
Authors of publication | Bongers, Amanda; Ranasinghe, Indee; Lemire, Philippe; Perozzo, Alyssa; Vincent-Rocan, Jean-François; Beauchemin, André M |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 15 |
Pages of publication | 3778 - 3781 |
a | 5.6316 ± 0.0004 Å |
b | 8.8731 ± 0.0006 Å |
c | 13.3605 ± 0.0007 Å |
α | 76.69 ± 0.003° |
β | 87.767 ± 0.003° |
γ | 85.418 ± 0.003° |
Cell volume | 647.47 ± 0.07 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0602 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.1199 |
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 |
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The link is: https://www.crystallography.net/1555653.html
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