Information card for entry 7150406

Structure parameters

• Formula: C18 H19 N O3 Se
• Calculated formula: C18 H19 N O3 Se
• SMILES: c1(c(cccn1)C(=O)CCC(=O)OCC)[Se]Cc1ccccc1
• Title of publication: Preparation of 2,3-dihydroselenolo[2,3-b]pyridines and related compounds by free-radical means.
• Authors of publication: Fenner, Tahli; White, Jonathan M.; Schiesser, Carl H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 466 - 474
• a: 4.8305 ± 0.0008 Å
• b: 13.532 ± 0.002 Å
• c: 26.21 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No