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Information card for entry 1556768
Preview
Coordinates | 1556768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H27 N O17 |
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Calculated formula | C25 H27 N O17 |
SMILES | C(=O)(c1cc(cc(c1)O)O)O.O.N1C(=O)C=CC1=O.Oc1cc(cc(O)c1)C(=O)O.O.O.C(=O)(c1cc(cc(c1)O)O)O |
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 | 9.3796 ± 0.001 Å |
b | 10.3981 ± 0.0012 Å |
c | 15.6415 ± 0.0016 Å |
α | 80.62 ± 0.009° |
β | 72.913 ± 0.009° |
γ | 66.089 ± 0.01° |
Cell volume | 1331.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1272 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1569 |
Weighted residual factors for all reflections included in the refinement | 0.1752 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556768.html
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