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Information card for entry 7238983
Preview
Coordinates | 7238983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H16 F3 N O4 S |
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Calculated formula | C9 H16 F3 N O4 S |
Title of publication | New asymmetric approach to β-trifluoromethyl isoserines |
Authors of publication | Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E. |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 18 |
Pages of publication | 6479 |
a | 10.706 ± 0.002 Å |
b | 14.746 ± 0.003 Å |
c | 16.87 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2663.3 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0262 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0601 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244494 (current) | 2019-11-28 | cif/ Adding structures of 7238983, 7238984 via cif-deposit CGI script. |
7238983.cif |
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Users of the data should acknowledge the original authors of the
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