Information card for entry 2209350

Structure parameters

• Chemical name: 3-methyl-N-(4-phenyl-1,3-diselenol-2-ylidene)benzamide
• Formula: C17 H13 N O Se2
• Calculated formula: C17 H13 N O Se2
• SMILES: [Se]1C([Se]C=C1c1ccccc1)=NC(=O)c1cc(ccc1)C
• Title of publication: 3-Methyl-<i>N</i>-(4-phenyl-1,3-diselenol-2-ylidene)benzamide
• Authors of publication: Garud, Dinesh R.; Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2133 - o2134
• a: 4.847 ± 0.004 Å
• b: 24.786 ± 0.019 Å
• c: 12.664 ± 0.011 Å
• α: 90°
• β: 103.504 ± 0.01°
• γ: 90°
• Cell volume: 1479 ± 2 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No