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Information card for entry 4033797
Preview
Coordinates | 4033797.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H28 N4 O3 |
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Calculated formula | C41 H28 N4 O3 |
SMILES | O1COc2ccc3CCc4cc5ccc6cccnc6c5nc4c3c2c2c3c4nc5c6ncccc6ccc5cc4CCc3ccc12.O |
Title of publication | Modulation of Chiroptical Properties in a Series of Helicene-like Compounds. |
Authors of publication | Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 17 |
Pages of publication | 10870 - 10876 |
a | 10.928 ± 0.0002 Å |
b | 12.6925 ± 0.0002 Å |
c | 11.194 ± 0.0002 Å |
α | 90° |
β | 106.253 ± 0.002° |
γ | 90° |
Cell volume | 1490.6 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4033797.html
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Users of the data should acknowledge the original authors of the
structural data.