Information card for entry 1572986

Structure parameters

• Formula: C28 H21 Cl4 N5 O2 S
• Calculated formula: C28 H21 Cl4 N5 O2 S
• Title of publication: 6-chloro-2'-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazole-4-carbonyl]-1'- (thiophen-2-yl)-1',2',5',6',7',7'a-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-one
• Authors of publication: M. Ali; Abdullah Mohammed Al-Majid; Muhanna K. Al-Muhanna; Mar Rios-Gutierrez; Matti Haukka; Abdulmajeed Abdullah Alayyaf; Assem Barakat
• Journal of publication: CCDC database
• Year of publication: 2024
• Pages of publication: 2303110 - 2303110
• a: 10.2619 ± 0.0003 Å
• b: 13.6776 ± 0.0003 Å
• c: 10.9318 ± 0.0003 Å
• α: 90°
• β: 116.64 ± 0.004°
• γ: 90°
• Cell volume: 1371.48 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No