Information card for entry 7058300

Structure parameters

• Formula: C23 H15 Cl3 F5 N3 O3 S Se
• Calculated formula: C23 H15 Cl3 F5 N3 O3 S Se
• Title of publication: New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives
• Authors of publication: Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 7035
• a: 7.4201 ± 0.0005 Å
• b: 12.6297 ± 0.0009 Å
• c: 14.6868 ± 0.0011 Å
• α: 96.558 ± 0.006°
• β: 90.345 ± 0.006°
• γ: 95.925 ± 0.006°
• Cell volume: 1359.82 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No