Information card for entry 7114729

Structure parameters

• Common name: 4,3'-dimethyl-4H,3'H-spiro[benzo[1,4]selenazine-2,2'-benzoselenazol']-3-one
• Chemical name: 4,3'-dimethyl-4H,3'H-spiro[benzo[1,4]selenazine-2,2'-benzoselenazol']-3-one
• Formula: C16 H14 N2 O Se2
• Calculated formula: C16 H14 N2 O Se2
• Title of publication: Route towards diselenadiazafulvalenes
• Authors of publication: Časar, Zdenko; Lorcy, Dominique; Bénard-Rocherullé, Patricia; Majcen-Le Maréchal, Alenka
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1336
• a: 5.8828 ± 0.0001 Å
• b: 15.9217 ± 0.0005 Å
• c: 16.1883 ± 0.0006 Å
• α: 90°
• β: 98.955 ± 0.001°
• γ: 90°
• Cell volume: 1497.78 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No