Information card for entry 2006231

Structure parameters

• Chemical name: Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate
• Formula: C27 H48 N2 O2 S2
• Calculated formula: C27 H48 N2 O2 S2
• Title of publication: Dicyclohexylammonium (<i>N</i>,<i>N</i>-Dicyclohexylthiocarbamoylthio)acetate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 779 - 781
• a: 9.2523 ± 0.0007 Å
• b: 30.116 ± 0.001 Å
• c: 10.2195 ± 0.0007 Å
• α: 90°
• β: 95.203 ± 0.003°
• γ: 90°
• Cell volume: 2835.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0646
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.115
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No