Information card for entry 4123385

Structure parameters

• Common name: D-pyroglutamic acid
• Formula: C5 H7 N O3
• Calculated formula: C5 H7 N O3
• SMILES: OC(=O)[C@@H]1NC(=O)CC1
• Title of publication: Perpetually self-propelling chiral single crystals.
• Authors of publication: Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 5
• Pages of publication: 1895 - 1902
• a: 4.425 ± 0.001 Å
• b: 9.162 ± 0.002 Å
• c: 14.747 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 597.9 ± 0.2 ų
• Cell temperature: 361 ± 2 K
• Ambient diffraction temperature: 361 ± 2 K
• 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 for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No