Information card for entry 7156482

Structure parameters

• Common name: 4g
• Chemical name: N-Phenyl-N'-ethyl-5-benzyl-2-iminothiazolidin-4-one
• Formula: C18 H18 N2 O S
• Calculated formula: C18 H18 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: 34.665 ± 0.004 Å
• b: 6.9265 ± 0.0009 Å
• c: 14.4146 ± 0.0018 Å
• α: 90°
• β: 113.137 ± 0.001°
• γ: 90°
• Cell volume: 3182.7 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No