Information card for entry 1557176

Structure parameters

• Chemical name: [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide
• Formula: C25 H22 N2 O2 Se
• Calculated formula: C25 H22 N2 O2 Se
• Title of publication: [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide
• Authors of publication: Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 1
• Pages of publication: x200078
• a: 13.209 ± 0.007 Å
• b: 6.343 ± 0.003 Å
• c: 27.08 ± 0.014 Å
• α: 90°
• β: 103.356 ± 0.008°
• γ: 90°
• Cell volume: 2207.5 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes