Information card for entry 7156483

Structure parameters

• Common name: 5c
• Chemical name: 5-Benzyl-5-hydroxy-1,3-diisopropyl-2-thioxoimidazolidin-4-one
• Formula: C16 H22 N2 O2 S
• Calculated formula: C16 H22 N2 O2 S
• Title of publication: Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.
• Authors of publication: Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 7910 - 7919
• a: 8.7745 ± 0.0014 Å
• b: 9.4352 ± 0.0016 Å
• c: 20.409 ± 0.003 Å
• α: 93.504 ± 0.002°
• β: 97.479 ± 0.002°
• γ: 90.918 ± 0.002°
• Cell volume: 1671.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No