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Information card for entry 7121515
Preview
Coordinates | 7121515.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H21 F2 N O4 |
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Calculated formula | C17 H21 F2 N O4 |
Title of publication | Minimising conformational bias in fluoroprolines through vicinal difluorination. |
Authors of publication | Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Kuprov, Ilya; Martins, Jose C.; Sinnaeve, Davy; Linclau, Bruno |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 40 |
Pages of publication | 5118 - 5121 |
a | 9.3962 ± 0.0003 Å |
b | 10.839 ± 0.0003 Å |
c | 33.4374 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3405.45 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0913 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
228359 (current) | 2019-11-17 | cif/ Updating files of 7121515 Original log message: Adding full bibliography for 7121515.cif. |
7121515.cif |
207351 | 2018-04-16 | cif/ Adding structures of 7121515 via cif-deposit CGI script. |
7121515.cif |
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