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Information card for entry 7224237
Preview
Coordinates | 7224237.cif |
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Original paper (by DOI) | HTML |
Chemical name | 221 GASM THF solvate |
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Formula | C13 H15 N O7.5 |
Calculated formula | C13 H15 N O7.5 |
SMILES | C(=O)(c1cc(c(c(c1)O)O)O)O.C1CC(=O)NC1=O.C1CCCO1 |
Title of publication | A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals |
Authors of publication | Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 3191 |
a | 5.927 ± 0.005 Å |
b | 8.342 ± 0.005 Å |
c | 13.899 ± 0.005 Å |
α | 79.829 ± 0.005° |
β | 84.029 ± 0.005° |
γ | 77.411 ± 0.005° |
Cell volume | 658.6 ± 0.7 Å3 |
Cell temperature | 110 ± 0.1 K |
Ambient diffraction temperature | 110 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
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/7224237.html
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