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Information card for entry 7212719
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Coordinates | 7212719.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-hydroxy-2-naphthoic acid dimethyl sulphoxide solvate |
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Formula | C24 H14 O7 S |
Calculated formula | C24 H14 O7 S |
Title of publication | Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation |
Authors of publication | Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 3065 |
a | 9.4013 ± 0.001 Å |
b | 10.0069 ± 0.0011 Å |
c | 12.2414 ± 0.0013 Å |
α | 95.15 ± 0.002° |
β | 109.037 ± 0.002° |
γ | 90.332 ± 0.002° |
Cell volume | 1083.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0932 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for significantly intense reflections | 0.1843 |
Weighted residual factors for all reflections included in the refinement | 0.2046 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7212719.html
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