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Information card for entry 7231590
Preview
Coordinates | 7231590.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | co-crystal of naproxen and 1,2-Bis(4-pyridyl)ethane |
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Formula | C40 H40 N2 O6 |
Calculated formula | C40 H40 N2 O6 |
Title of publication | Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown |
Authors of publication | Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 41 |
Pages of publication | 6377 |
a | 38.014 ± 0.016 Å |
b | 5.787 ± 0.003 Å |
c | 15.566 ± 0.007 Å |
α | 90° |
β | 93.646 ± 0.006° |
γ | 90° |
Cell volume | 3417 ± 3 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0865 |
Weighted residual factors for all reflections included in the refinement | 0.0949 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7231590.html
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