Information card for entry 1520279

Structure parameters

• Formula: C28 H32 N2 S4
• Calculated formula: C28 H32 N2 S4
• Title of publication: C28H32N2S4
• Authors of publication: Hursthouse, Michael B.; Coles, Simon J.; Skabara, Peter J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 422
• a: 5.332 ± 0.0004 Å
• b: 12.9425 ± 0.0009 Å
• c: 20.2396 ± 0.0015 Å
• α: 71.806 ± 0.003°
• β: 89.317 ± 0.003°
• γ: 78.634 ± 0.004°
• Cell volume: 1299.02 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No