Information card for entry 7202277

Structure parameters

• Formula: C14 H16 Cl N S2
• Calculated formula: C14 H16 Cl N S2
• SMILES: Clc1ccc(cc1)/C=C/SC(=S)N1CCCCC1
• Title of publication: One-pot copper nanoparticle-catalyzed synthesis of S-aryl- and S-vinyl dithiocarbamates in water: high diastereoselectivity achieved for vinyl dithiocarbamates
• Authors of publication: Bhadra, Sukalyan; Saha, Amit; Ranu, Brindaban C.
• Journal of publication: Green Chemistry
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1224
• a: 10.704 ± 0.003 Å
• b: 15.143 ± 0.004 Å
• c: 8.924 ± 0.002 Å
• α: 90°
• β: 100.006 ± 0.003°
• γ: 90°
• Cell volume: 1424.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No