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Information card for entry 4025655
Preview
Coordinates | 4025655.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H20 N4 O6 |
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Calculated formula | C21 H20 N4 O6 |
SMILES | O=C(NC1CC2(CC(NC(=O)c3ccc(N(=O)=O)cc3)C2)C1)c1ccc(N(=O)=O)cc1 |
Title of publication | Cyclobutane-Derived Diamines: Synthesis and Molecular Structure |
Authors of publication | Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 5941 - 5952 |
a | 9.9288 ± 0.001 Å |
b | 12.6735 ± 0.0013 Å |
c | 15.7735 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1984.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1611 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0672 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.625 |
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/4025655.html
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