Information card for entry 2005307

Structure parameters

• Chemical name: 2-methylseleno-N-phenylbenzamide
• Formula: C14 H13 N O Se
• Calculated formula: C14 H13 N O Se
• SMILES: [Se](c1c(cccc1)C(=O)Nc1ccccc1)C
• Title of publication: <i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide
• Authors of publication: Fong, M. C.; Gable, R. W.; Schiesser, C. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1886 - 1889
• a: 9.777 ± 0.002 Å
• b: 16.692 ± 0.002 Å
• c: 15.82 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2581.8 ± 0.6 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.0731
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα(nickelfiltered)
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No