Information card for entry 4505154

Structure parameters

• Formula: C15 H25 N4 O9 S
• Calculated formula: C15 H25 N4 O9 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: 13.5047 ± 0.001 Å
• b: 22.3136 ± 0.0017 Å
• c: 6.8889 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2075.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No