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Information card for entry 7215769
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Coordinates | 7215769.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Pentaglycine |
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Chemical name | Glycyl-glycyl-glycyl-glycyl-glycine |
Formula | C10 H17 N5 O6 |
Calculated formula | C10 H17 N5 O6 |
SMILES | C(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-])[NH3+] |
Title of publication | Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity |
Authors of publication | Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 31 |
Pages of publication | 7196 |
a | 4.7995 ± 0.0003 Å |
b | 14.9108 ± 0.0015 Å |
c | 17.6905 ± 0.0019 Å |
α | 90.203 ± 0.008° |
β | 94.866 ± 0.007° |
γ | 91.976 ± 0.007° |
Cell volume | 1260.7 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1074 |
Residual factor for significantly intense reflections | 0.0858 |
Weighted residual factors for significantly intense reflections | 0.235 |
Weighted residual factors for all reflections included in the refinement | 0.2538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7215769.html
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