Information card for entry 7156796

Structure parameters

• Formula: C18 H25 N2 O2 S
• Calculated formula: C18 H24 N2 O2 S
• Title of publication: Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.
• Authors of publication: Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4783 - 4788
• a: 6.13461 ± 0.00018 Å
• b: 13.8919 ± 0.0005 Å
• c: 10.4572 ± 0.0004 Å
• α: 90°
• β: 91.4472 ± 0.0018°
• γ: 90°
• Cell volume: 890.89 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No