Information card for entry 2202178

Structure parameters

• Formula: C11 H20 N2 O4 S
• Calculated formula: C11 H20 N2 O4 S
• SMILES: S=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
• Title of publication: <i>N,N</i>'-Bis(<i>tert</i>-butoxycarbonyl)thiourea
• Authors of publication: Li, Cong; Chan, Kannie Wai Yan; Szeto, Lap
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o366 - o368
• a: 6.171 ± 0.002 Å
• b: 11.334 ± 0.003 Å
• c: 11.653 ± 0.003 Å
• α: 81.25 ± 0.01°
• β: 87.31 ± 0.01°
• γ: 74.27 ± 0.01°
• Cell volume: 775.4 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.566
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No