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Information card for entry 1556763
Preview
Coordinates | 1556763.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H16 N2 O9 |
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Calculated formula | C15 H16 N2 O9 |
SMILES | C(=O)(c1cc(c(c(c1)O)O)O)O.C1(=O)CCC(=O)N1.C1(=O)CCC(=O)N1 |
Title of publication | Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. |
Authors of publication | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. |
Journal of publication | IUCrJ |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | Pt 3 |
Pages of publication | 341 - 351 |
a | 7.0213 ± 0.0003 Å |
b | 8.8214 ± 0.0004 Å |
c | 25.1416 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1557.21 ± 0.12 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
246055 (current) | 2019-12-26 | cif/ Adding structures of 1556760, 1556761, 1556762, 1556763, 1556764, 1556765, 1556766, 1556767, 1556768, 1556769, 1556770 via cif-deposit CGI script. |
1556763.cif |
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Users of the data should acknowledge the original authors of the
structural data.