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Information card for entry 7154089
Preview
Coordinates | 7154089.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H40 F N3 Ni O5 |
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Calculated formula | C36 H40 F N3 Ni O5 |
SMILES | [Ni]123[N]([C@H](C(=O)O1)CCCC=C)=C(c1ccccc1N2C(=O)[C@H]1[N]3(CCC1)Cc1c(F)cccc1)c1ccccc1.O=C(OCC)C |
Title of publication | Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides. |
Authors of publication | Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 43 |
Pages of publication | 8775 - 8782 |
a | 9.054 ± 0.003 Å |
b | 14.587 ± 0.004 Å |
c | 12.85 ± 0.004 Å |
α | 90° |
β | 101.348 ± 0.006° |
γ | 90° |
Cell volume | 1663.9 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.094 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7154089.html
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Users of the data should acknowledge the original authors of the
structural data.