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Information card for entry 7203591
Preview
Coordinates | 7203591.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2,5 lutidine succinic acid co-crystal |
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Formula | C18 H24 N2 O4 |
Calculated formula | C18 H24 N2 O4 |
SMILES | c1(ccc(cn1)C)C.C(=O)(CCC(=O)O)O.c1(ccc(cn1)C)C |
Title of publication | Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study |
Authors of publication | Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel |
Journal of publication | CrystEngComm |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 11 |
Pages of publication | 830 |
a | 4.7197 ± 0.0009 Å |
b | 15.272 ± 0.003 Å |
c | 12.819 ± 0.003 Å |
α | 90° |
β | 97.38 ± 0.03° |
γ | 90° |
Cell volume | 916.3 ± 0.3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1402 |
Weighted residual factors for all reflections included in the refinement | 0.1507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7203591.html
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