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Information card for entry 2023175
Preview
Coordinates | 2023175.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2-Oxo-2<i>H</i>-chromen-4-yl pentanoate |
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Formula | C14 H14 O4 |
Calculated formula | C14 H14 O4 |
Title of publication | Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2<i>H</i>-chromen-4-yl penta-noate. |
Authors of publication | Bationo, Valentin; Kambo, Konan René; Sombié, Charles Bavouma; Semdé, Rasmané; Francotte, Pierre; Djandé, Abdoulaye |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 7 |
Pages of publication | 767 - 770 |
a | 9.57455 ± 0.00013 Å |
b | 9.2966 ± 0.00017 Å |
c | 14.5761 ± 0.0002 Å |
α | 90° |
β | 100.952 ± 0.0014° |
γ | 90° |
Cell volume | 1273.8 ± 0.03 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0628 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1665 |
Weighted residual factors for all reflections included in the refinement | 0.1749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294003 (current) | 2024-08-07 | cif/ Updating files of 2023175 Original log message: Adding full bibliography for 2023175.cif. |
2023175.cif |
292526 | 2024-06-22 | cif/ Adding structures of 2023175 via cif-deposit CGI script. |
2023175.cif |
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