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Information card for entry 7238967
Preview
Coordinates | 7238967.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H12 O5 |
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Calculated formula | C8 H12 O5 |
Title of publication | Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick |
Authors of publication | Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M. |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 20 |
Pages of publication | 7265 |
a | 5.8622 ± 0.0005 Å |
b | 5.9939 ± 0.0005 Å |
c | 14.537 ± 0.002 Å |
α | 91.77 ± 0.006° |
β | 99.179 ± 0.006° |
γ | 117.482 ± 0.005° |
Cell volume | 444.15 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244483 (current) | 2019-11-28 | cif/ Adding structures of 7238967, 7238968, 7238969, 7238970 via cif-deposit CGI script. |
7238967.cif |
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Users of the data should acknowledge the original authors of the
structural data.