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Information card for entry 7223371
Preview
Coordinates | 7223371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H36 N2 O12 |
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Calculated formula | C32 H36 N2 O12 |
SMILES | c1(ccc(cc1)[NH3+])Oc1ccc(cc1)[NH3+].C(=O)([O-])[C@@H](OC(=O)c1ccccc1C)[C@@H](C(=O)[O-])OC(=O)c1ccccc1C.O.O.O |
Title of publication | A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid |
Authors of publication | Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 1 |
Pages of publication | 123 |
a | 13.524 ± 0.002 Å |
b | 9.9285 ± 0.0016 Å |
c | 13.891 ± 0.003 Å |
α | 90° |
β | 118.817 ± 0.0019° |
γ | 90° |
Cell volume | 1634.2 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0286 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0784 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7223371.html
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