Information card for entry 2016405

Structure parameters

• Chemical name: N-Benzoyl-N',N'-dibutylselenourea
• Formula: C16 H24 N2 O Se
• Calculated formula: C16 H24 N2 O Se
• SMILES: [Se]=C(NC(=O)c1ccccc1)N(CCCC)CCCC
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>',<i>N</i>'-dibutylselenourea and its palladium(II) complex
• Authors of publication: Jocelyn C. Bruce; Klaus R. Koch
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m1 - m4
• a: 10.388 ± 0.0017 Å
• b: 15.715 ± 0.003 Å
• c: 10.1518 ± 0.0016 Å
• α: 90°
• β: 98.423 ± 0.003°
• γ: 90°
• Cell volume: 1639.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes