Information card for entry 2010470

Structure parameters

• Formula: C8 H7 N O Se
• Calculated formula: C8 H7 N O Se
• Title of publication: 2-Methyl-2<i>H</i>-1,2-benzisoselenazol-3-one
• Authors of publication: Piatek, M.; Oleksyn, B.; Sliwinski, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 298 - 301
• a: 11.118 ± 0.002 Å
• b: 6.167 ± 0.003 Å
• c: 12.296 ± 0.002 Å
• α: 90°
• β: 107.28 ± 0.02°
• γ: 90°
• Cell volume: 805 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.204
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No