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Information card for entry 7060134
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Coordinates | 7060134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H88.5 N12 O22.25 S6 |
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Calculated formula | C86 H88.5 N12 O22.25 S6 |
Title of publication | End-group functionalization of a conjugated azomethine with ureas for property tailoring |
Authors of publication | Tremblay, Marie-Hélène; Al Ahmad, Abdel; Skene, W. G. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 43 |
Pages of publication | 18813 - 18822 |
a | 15.7977 ± 0.0007 Å |
b | 19.3045 ± 0.0009 Å |
c | 29.3563 ± 0.0014 Å |
α | 90° |
β | 103.172 ± 0.003° |
γ | 90° |
Cell volume | 8717.2 ± 0.7 Å3 |
Cell temperature | 105 K |
Ambient diffraction temperature | 105 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1347 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1822 |
Weighted residual factors for all reflections included in the refinement | 0.219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/7060134.html
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Users of the data should acknowledge the original authors of the
structural data.