Information card for entry 2233640

Structure parameters

• Chemical name: Ethyl <i>N</i>-[(benzyloxy)thiocarbonyl]carbamate
• Formula: C11 H13 N O3 S
• Calculated formula: C11 H13 N O3 S
• SMILES: c1(ccccc1)COC(=S)NC(=O)OCC
• Title of publication: Ethyl <i>N</i>-[(benzyloxy)thiocarbonyl]carbamate
• Authors of publication: Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o300
• a: 6.608 ± 0.004 Å
• b: 7.963 ± 0.007 Å
• c: 12.369 ± 0.006 Å
• α: 87.451 ± 0.013°
• β: 80.725 ± 0.017°
• γ: 77.324 ± 0.018°
• Cell volume: 626.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes