Information card for entry 2239380

Structure parameters

• Chemical name: (3a<i>R</i>*,8b<i>R</i>*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one
• Formula: C19 H16 N2 O5 S
• Calculated formula: C19 H16 N2 O5 S
• Title of publication: (3a<i>R</i>*,8b<i>R</i>*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one
• Authors of publication: Nagalakshmi, R. A.; Suresh, J.; Kumar, R. Ranjith; Jeyachandran, V.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o279 - o280
• a: 10.083 ± 0.0005 Å
• b: 10.2775 ± 0.0005 Å
• c: 34.6579 ± 0.0017 Å
• α: 97.54 ± 0.003°
• β: 96.028 ± 0.003°
• γ: 97.138 ± 0.003°
• Cell volume: 3505.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0897
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes