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Information card for entry 4509494
Preview
Coordinates | 4509494.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4-Dimethylaminopyridinium phthalate |
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Chemical name | 4-dimethylaminopyridinium phthalate |
Formula | C15 H16 N2 O4 |
Calculated formula | C15 H16 N2 O4 |
Title of publication | Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids |
Authors of publication | Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 6 |
Pages of publication | 2881 |
a | 22.13 ± 0.003 Å |
b | 8.7473 ± 0.0011 Å |
c | 15.3325 ± 0.0019 Å |
α | 90° |
β | 111.525 ± 0.002° |
γ | 90° |
Cell volume | 2761 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1287 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4509494.html
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