Information card for entry 7230990

Structure parameters

• Formula: C12 H24 N2 O4
• Calculated formula: C12 H24 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: 31.8791 ± 0.0012 Å
• b: 5.0676 ± 0.0002 Å
• c: 8.8564 ± 0.0004 Å
• α: 90°
• β: 96.049 ± 0.004°
• γ: 90°
• Cell volume: 1422.79 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No