Information card for entry 7058299

Structure parameters

• Formula: C24 H18 F5 N3 O5 S Se
• Calculated formula: C24 H18 F5 N3 O5 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: 18.243 ± 0.0012 Å
• b: 7.5672 ± 0.0005 Å
• c: 20.083 ± 0.002 Å
• α: 90°
• β: 116.938 ± 0.006°
• γ: 90°
• Cell volume: 2471.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No