Information card for entry 4000417

Structure parameters

• Common name: 03066
• Formula: C11 H19 N3 O3 S
• Calculated formula: C11.5667 H19 N3 O3 S
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 24.773 ± 0.002 Å
• b: 7.5708 ± 0.0006 Å
• c: 22.3375 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4189.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No