Information card for entry 7230994

Structure parameters

• Formula: C12 H24 N4 O7
• Calculated formula: C12 H24 N4 O7
• 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: 5.0193 ± 0.0003 Å
• b: 8.6051 ± 0.0006 Å
• c: 10.2069 ± 0.0007 Å
• α: 69.005 ± 0.004°
• β: 77.721 ± 0.004°
• γ: 89.513 ± 0.004°
• Cell volume: 401.06 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No