Information card for entry 4505157

Structure parameters

• Formula: C10 H15 N4 O3 S
• Calculated formula: C10 H15 N4 O3 S
• Title of publication: Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks
• Authors of publication: Custelcean, Radu; Ward, Michael D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2277
• a: 7.4632 ± 0.0015 Å
• b: 12.587 ± 0.003 Å
• c: 29.788 ± 0.006 Å
• α: 90°
• β: 93.983 ± 0.004°
• γ: 90°
• Cell volume: 2791.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No