Information card for entry 2230004

Structure parameters

• Chemical name: 3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea
• Formula: C14 H16 N4 O5 S
• Calculated formula: C14 H16 N4 O5 S
• Title of publication: 3-Cyclohexyl-1-(3,5-dinitrobenzoyl)thiourea
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Sher, Muhammad; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1148
• a: 12.3404 ± 0.0007 Å
• b: 9.0506 ± 0.0005 Å
• c: 14.6534 ± 0.0006 Å
• α: 90°
• β: 90.385 ± 0.005°
• γ: 90°
• Cell volume: 1636.57 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1155
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes