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Information card for entry 7212875
Preview
Coordinates | 7212875.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 N2 O4 |
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Calculated formula | C19 H24 N2 O4 |
SMILES | n1ccc(cc1)CCc1ccncc1.OC(=O)CCCCCC(=O)O |
Title of publication | Remarkable reversal of melting point alternation by co-crystallization |
Authors of publication | Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3534 |
a | 11.138 ± 0.001 Å |
b | 47.332 ± 0.005 Å |
c | 14.436 ± 0.002 Å |
α | 90° |
β | 105.832 ± 0.001° |
γ | 90° |
Cell volume | 7321.7 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1923 |
Residual factor for significantly intense reflections | 0.0827 |
Weighted residual factors for significantly intense reflections | 0.2294 |
Weighted residual factors for all reflections included in the refinement | 0.2987 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/7212875.html
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