Information card for entry 1572987

Structure parameters

• Formula: C29 H24 Cl3 N5 O3
• Calculated formula: C29 H24 Cl3 N5 O3
• Title of publication: 1'-(furan-2-yl)-5-methyl-2'-[5-methyl-1-(2,4,6-trichlorophenyl)- 1H-1,2,3-triazole-4-carbonyl]-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: 2303111 - 2303111
• a: 13.0012 ± 0.0001 Å
• b: 14.9692 ± 0.0001 Å
• c: 14.1178 ± 0.0001 Å
• α: 90°
• β: 97.101 ± 0.001°
• γ: 90°
• Cell volume: 2726.5 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No