Information card for entry 7230993

Structure parameters

• Formula: C6 H12 N2 O4
• Calculated formula: C6 H12 N2 O4
• 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: 9.8954 ± 0.0004 Å
• b: 19.31 ± 0.0009 Å
• c: 8.9868 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.2 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No