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Information card for entry 7157914
Preview
Coordinates | 7157914.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H23 Cl N6 O4 |
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Calculated formula | C14 H23 Cl N6 O4 |
Title of publication | Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles. |
Authors of publication | Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 12 |
Pages of publication | 2784 - 2793 |
a | 8.5903 ± 0.0002 Å |
b | 14.7776 ± 0.0004 Å |
c | 15.1797 ± 0.0004 Å |
α | 87.837 ± 0.002° |
β | 73.679 ± 0.002° |
γ | 82.1 ± 0.002° |
Cell volume | 1831.77 ± 0.08 Å3 |
Cell temperature | 223 ± 0.1 K |
Ambient diffraction temperature | 223 ± 0.1 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 | 0.046 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1209 |
Weighted residual factors for all reflections included in the refinement | 0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7157914.html
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Users of the data should acknowledge the original authors of the
structural data.