Information card for entry 7156485

Structure parameters

• Common name: 3j
• Chemical name: N',5-Dibenzyl-N-phenyl-2-thiohydantoin
• Formula: C23 H20 N2 O S
• Calculated formula: C23 H20 N2 O 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: 8.887 ± 0.002 Å
• b: 9.348 ± 0.002 Å
• c: 12.182 ± 0.003 Å
• α: 80.025 ± 0.003°
• β: 72.125 ± 0.003°
• γ: 88.273 ± 0.003°
• Cell volume: 948.3 ± 0.4 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: 0.0429
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No