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Information card for entry 7248312
Preview
Coordinates | 7248312.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H15 N O6 |
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Calculated formula | C9 H15 N O6 |
SMILES | N#CCCO[C@@]1(OC[C@@H](O)[C@@H](O)[C@@H]1O)CO |
Title of publication | The synthesis of fructose-based surfactants. |
Authors of publication | Lin, Hung-Chien; Kidonakis, Marios; Kaniraj, J. P.; Kholomieiev, Ihor; Fridrich, Balint; Stuart, Marc C. A.; Minnaard, Adriaan J. |
Journal of publication | Green chemistry : an international journal and green chemistry resource : GC |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 8 |
Pages of publication | 4715 - 4722 |
a | 5.337 ± 0.0002 Å |
b | 26.3849 ± 0.0012 Å |
c | 8.013 ± 0.0003 Å |
α | 90° |
β | 108.97 ± 0.002° |
γ | 90° |
Cell volume | 1067.08 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291660 (current) | 2024-05-05 | cif/ Updating files of 7248312 Original log message: Adding full bibliography for 7248312.cif. |
7248312.cif |
290499 | 2024-03-14 | cif/ Adding structures of 7248312 via cif-deposit CGI script. |
7248312.cif |
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Users of the data should acknowledge the original authors of the
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