Information card for entry 1572970

Structure parameters

• Formula: C15 H12 O2 Se
• Calculated formula: C15 H12 O2 Se
• Title of publication: Phenacylselenoesters Allow Facile Selenium Transfer and Hydrogen Selenide Generation
• Authors of publication: Dey Sarkar, Utsav; Rana, Mahima; Chakrapani, Harinath
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 13.0359 ± 0.0007 Å
• b: 12.4928 ± 0.0007 Å
• c: 7.6471 ± 0.0004 Å
• α: 90°
• β: 97.074 ± 0.002°
• γ: 90°
• Cell volume: 1235.89 ± 0.12 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• 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: 0.0214
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No