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Information card for entry 7054693
Preview
Coordinates | 7054693.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Boc-[Gamma-R-Val]4-OMe |
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Chemical name | t-Butyloxycarbonyl-[R-gamma-Valyl]4-methyl ester |
Formula | C34 H64 N4 O7 |
Calculated formula | C34 H64 N4 O7 |
SMILES | O=C(N[C@H](CCC(=O)N[C@@H](C(C)C)CCC(=O)OC)C(C)C)CC[C@@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C |
Title of publication | Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences |
Authors of publication | M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P. |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 5 |
Pages of publication | 3319 |
a | 5.1182 ± 0.0003 Å |
b | 50.153 ± 0.003 Å |
c | 7.4046 ± 0.0004 Å |
α | 90° |
β | 97.675 ± 0.004° |
γ | 90° |
Cell volume | 1883.68 ± 0.19 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1048 |
Residual factor for significantly intense reflections | 0.0956 |
Weighted residual factors for significantly intense reflections | 0.2571 |
Weighted residual factors for all reflections included in the refinement | 0.274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.