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Information card for entry 8104656
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Coordinates | 8104656.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H17 N O3 |
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Calculated formula | C18 H17 N O3 |
Title of publication | Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3 |
Authors of publication | Wang, Lei; Meng, Qing-Guo; Hou, Gui-Ge |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 5 |
Pages of publication | 1023 - 1025 |
a | 4.0929 ± 0.0004 Å |
b | 12.9527 ± 0.0011 Å |
c | 14.4228 ± 0.0012 Å |
α | 70.171 ± 0.008° |
β | 87.229 ± 0.008° |
γ | 87.567 ± 0.008° |
Cell volume | 718.16 ± 0.12 Å3 |
Cell temperature | 99.9 ± 0.3 K |
Ambient diffraction temperature | 99.9 ± 0.3 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 | 0.0673 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1381 |
Weighted residual factors for all reflections included in the refinement | 0.1526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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273484 (current) | 2022-03-07 | cif/ Adding structures of 8104656 via cif-deposit CGI script. |
8104656.cif |
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Users of the data should acknowledge the original authors of the
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