Information card for entry 7238560

Structure parameters

• Formula: C13 H15 N O Se
• Calculated formula: C13 H15 N O Se
• Title of publication: Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O
• Authors of publication: Sengoden, Mani; Punniyamurthy, Tharmalingam
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 2736
• a: 6.7304 ± 0.0004 Å
• b: 7.6804 ± 0.0004 Å
• c: 23.0785 ± 0.0013 Å
• α: 90°
• β: 92.209 ± 0.004°
• γ: 90°
• Cell volume: 1192.09 ± 0.12 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: 0.0596
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No