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Information card for entry 1511777
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Coordinates | 1511777.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,5?-(ethane-1,1-diyl)bis(1-cyanato- 2-methoxy-4-methylbenzene) |
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Formula | C20 H20 N2 O4 |
Calculated formula | C20 H20 N2 O4 |
SMILES | O(C#N)c1cc(C(c2cc(OC#N)c(OC)cc2C)C)c(C)cc1OC |
Title of publication | Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol. |
Authors of publication | Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M. |
Journal of publication | Biomacromolecules |
Year of publication | 2013 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 771 - 780 |
a | 7.062 ± 0.002 Å |
b | 11.734 ± 0.004 Å |
c | 12.337 ± 0.004 Å |
α | 106.625 ± 0.004° |
β | 95.476 ± 0.004° |
γ | 105.337 ± 0.004° |
Cell volume | 928.4 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0647 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/1511777.html
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Users of the data should acknowledge the original authors of the
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