Information card for entry 2240010

Structure parameters

• Chemical name: 6-(4-Chlorophenyl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]\ pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] chloroform solvate
• Formula: C34 H24 Cl4 N4 O3 S
• Calculated formula: C34 H24 Cl4 N4 O3 S
• Title of publication: Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] chloroform solvate
• Authors of publication: Sivakumar, Nithya; Viswanathan, Vijayan; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1111 - o1112
• a: 8.983 ± 0.005 Å
• b: 13.241 ± 0.005 Å
• c: 14.269 ± 0.005 Å
• α: 99.89 ± 0.005°
• β: 99.204 ± 0.005°
• γ: 105.519 ± 0.005°
• Cell volume: 1572.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes