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Information card for entry 8107497
Preview
Coordinates | 8107497.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-methoxy-4-(methoxycarbonyl)phenyl 2-chloro-4-fluorobenzoate |
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Formula | C16 H12 Cl F O5 |
Calculated formula | C16 H12 Cl F O5 |
Title of publication | Crystal structure of 2-methoxy-4-(methoxy-carbonyl)phenyl 2-chloro-4-fluorobenzoate, C16H12ClFO5 |
Authors of publication | Xiong, Xin-Ting; Xiao, Pan-Lei; Ou-Yang, Xiao-Hui; Nie, Xu-Liang; Song, Xiu-Ying |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2023 |
Journal volume | 238 |
Journal issue | 3 |
Pages of publication | 571 - 573 |
a | 14.7536 ± 0.0006 Å |
b | 7.8281 ± 0.0003 Å |
c | 14.0501 ± 0.0007 Å |
α | 90° |
β | 111.174 ± 0.005° |
γ | 90° |
Cell volume | 1513.13 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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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286370 (current) | 2023-09-18 | cif/ Adding structures of 8107497 via cif-deposit CGI script. |
8107497.cif |
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