Information card for entry 2010674

Structure parameters

• Chemical name: Dodecyl 2-nitrophenyl disulphide
• Formula: C18 H29 N O2 S2
• Calculated formula: C18 H29 N O2 S2
• Title of publication: Dodecyl 2-nitrophenyl disulphide
• Authors of publication: Low, John Nicolson; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e62 - e62
• a: 34.497 ± 0.007 Å
• b: 7.796 ± 0.002 Å
• c: 7.503 ± 0.002 Å
• α: 90°
• β: 95.12 ± 0.03°
• γ: 90°
• Cell volume: 2009.8 ± 0.9 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes