Information card for entry 1567989

Structure parameters

• Common name: GAG
• Chemical name: Gly-Ala-Gly
• Formula: C7 H13 N3 O4
• Calculated formula: C7 H13 N3 O4
• Title of publication: Influence of central sidechain on self-assembly of glycine-x-glycine peptides.
• Authors of publication: Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.
• Journal of publication: Soft matter
• Year of publication: 2023
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 394 - 409
• a: 12.4827 ± 0.0002 Å
• b: 16.0047 ± 0.0003 Å
• c: 4.74526 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 948.02 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Cell measurement pressure: 100 kPa
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 0.00813
• Goodness-of-fit parameter for all reflections: 1.395
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No