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Information card for entry 8107354
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Coordinates | 8107354.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H24 N2 O8 |
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Calculated formula | C20 H24 N2 O8 |
Title of publication | The crystal structure of oxalic acid – 2-ethoxybenzamide (2/1), C20H24N2O8 |
Authors of publication | Xia, Ying-Fan; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2023 |
Journal volume | 238 |
Journal issue | 1 |
Pages of publication | 65 - 67 |
a | 3.8981 ± 0.0003 Å |
b | 16.0675 ± 0.0011 Å |
c | 16.2908 ± 0.001 Å |
α | 90° |
β | 94.537 ± 0.003° |
γ | 90° |
Cell volume | 1017.14 ± 0.12 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 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 | 0.0795 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1638 |
Weighted residual factors for all reflections included in the refinement | 0.1746 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 1.34138 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
284458 (current) | 2023-06-13 | cif/ Adding structures of 8107354 via cif-deposit CGI script. |
8107354.cif |
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Users of the data should acknowledge the original authors of the
structural data.