Information card for entry 7702056

Structure parameters

• Formula: C14 H18 N2 O3 Se
• Calculated formula: C14 H18 N2 O3 Se
• Title of publication: Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.
• Authors of publication: Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6456 - 6465
• a: 7.6495 ± 0.0003 Å
• b: 12.469 ± 0.0005 Å
• c: 16.5823 ± 0.0006 Å
• α: 90°
• β: 92.492 ± 0.003°
• γ: 90°
• Cell volume: 1580.15 ± 0.11 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: 0.0514
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0692
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No