Information card for entry 7230991

Structure parameters

• Formula: C4 H8 N2 O3
• Calculated formula: C4 H8 N2 O3
• Title of publication: Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry
• Authors of publication: Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 30
• Pages of publication: 4213
• a: 9.4044 ± 0.0002 Å
• b: 8.2033 ± 0.0002 Å
• c: 7.775 ± 0.0002 Å
• α: 90°
• β: 101.659 ± 0.001°
• γ: 90°
• Cell volume: 587.44 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No