Information card for entry 7238561

Structure parameters

• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• 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: 10.4808 ± 0.0009 Å
• b: 8.9744 ± 0.0008 Å
• c: 13.08 ± 0.0012 Å
• α: 90°
• β: 91.143 ± 0.005°
• γ: 90°
• Cell volume: 1230.05 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No