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Information card for entry 7208025
Preview
Coordinates | 7208025.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-(1,3-dioxolan-2-one-4-yl)-2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane |
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Formula | C8 H8 O7 |
Calculated formula | C8 H8 O7 |
SMILES | O=C1O[C@@H]2[C@H](O1)CO[C@@H]2[C@H]1OC(=O)OC1 |
Title of publication | Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups |
Authors of publication | Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel |
Journal of publication | Green Chemistry |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 6 |
Pages of publication | 1749 |
a | 7.9412 ± 0.0002 Å |
b | 10.0129 ± 0.0003 Å |
c | 10.831 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 861.22 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0317 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0608 |
Weighted residual factors for all reflections included in the refinement | 0.0632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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