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Information card for entry 8105551
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Coordinates | 8105551.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2<i>E</i>,4<i>Z</i>)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate |
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Formula | C28 H30 N2 O8 |
Calculated formula | C28 H30 N2 O8 |
Title of publication | Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4 |
Authors of publication | Chen, Xiao-Ming; Zhang, Xing-Yu; He, Fu-Lin; Pan, Jun; Jia, Guo-Kai |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 234 |
Journal issue | 1 |
Pages of publication | 87 - 89 |
a | 8.2018 ± 0.0004 Å |
b | 11.5512 ± 0.0005 Å |
c | 14.4121 ± 0.0007 Å |
α | 79.242 ± 0.002° |
β | 78.647 ± 0.003° |
γ | 85.496 ± 0.003° |
Cell volume | 1313.93 ± 0.11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.082 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1565 |
Weighted residual factors for all reflections included in the refinement | 0.1805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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