Information card for entry 7217449

Structure parameters

• Common name: Pentaglycine
• 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 ų
• 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
• Duplicate of: 7215769
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No