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Information card for entry 4034559
Preview
Coordinates | 4034559.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H16 N2 O2 S |
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Calculated formula | C24 H16 N2 O2 S |
SMILES | s1c2c3ccccc3c3n(c4cccc(c4c3c2c2ccccc12)N(=O)=O)CC |
Title of publication | Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties. |
Authors of publication | Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 21 |
Pages of publication | 13528 - 13539 |
a | 18.3659 ± 0.0012 Å |
b | 11.7207 ± 0.0009 Å |
c | 8.8736 ± 0.0007 Å |
α | 90° |
β | 102.469 ± 0.007° |
γ | 90° |
Cell volume | 1865.1 ± 0.2 Å3 |
Cell temperature | 294.13 ± 0.16 K |
Ambient diffraction temperature | 294.13 ± 0.16 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1505 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
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/4034559.html
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