Information card for entry 7238685

Structure parameters

• Formula: C12 H15 N S3
• Calculated formula: C12 H15 N S3
• Title of publication: Ruthenium catalysed one-pot synthesis of S-allyl and cinnamyl dithiocarbamates using allyl and cinnamyl acetates in water
• Authors of publication: Ahammed, Sabir; Saha, Amit; Ranu, Brindaban C.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 15
• Pages of publication: 6329
• a: 7.7884 ± 0.0005 Å
• b: 5.916 ± 0.0004 Å
• c: 28.2073 ± 0.0019 Å
• α: 90°
• β: 95.261 ± 0.001°
• γ: 90°
• Cell volume: 1294.21 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No