Information card for entry 4037755

Structure parameters

• Formula: C31 H20 Cl N O Se2
• Calculated formula: C31 H20 Cl N O Se2
• SMILES: [Se](C1C(=O)/C(N2C=1C=Cc1c2cc(cc1)Cl)=C(\[Se]c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Copper(I) Catalyzed Synthesis of Functionalized Indolizinones from Substituted Pyridine Homologated Ynones.
• Authors of publication: Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 14.9756 ± 0.0005 Å
• b: 11.223 ± 0.0004 Å
• c: 16.6743 ± 0.0006 Å
• α: 90°
• β: 112.726 ± 0.002°
• γ: 90°
• Cell volume: 2584.89 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No