Information card for entry 1547801

Structure parameters

• Formula: C11 H11 I O2 Se
• Calculated formula: C11 H11 I O2 Se
• SMILES: Ic1c2[se]ccc2cc(OC)c1OCC
• Title of publication: Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate.
• Authors of publication: Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5748 - 5751
• a: 12.931 ± 0.005 Å
• b: 10.477 ± 0.004 Å
• c: 18.151 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2459.1 ± 1.6 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No