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Information card for entry 7158499
Preview
Coordinates | 7158499.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (Z)-4-fluoro-2-isobutyl-5-phtalimidopent-3-en-1-oic acid |
---|---|
Formula | C17 H18 F N O4 |
Calculated formula | C17 H18 F N O4 |
Title of publication | Convergent access to mono-fluoroalkene-based peptidomimetics. |
Authors of publication | Larnaud, Florent; Calata, Charlène; Prunier, Anaïs; Le Guen, Clothilde; Legay, Rémi; Pfund, Emmanuel; Lequeux, Thierry |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 6 |
Pages of publication | 1205 - 1218 |
a | 31.87 ± 0.03 Å |
b | 5.876 ± 0.008 Å |
c | 8.328 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1560 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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