Information card for entry 4037169

Structure parameters

• Formula: C42 H25 N O4 S
• Calculated formula: C42 H25 N O4 S
• Title of publication: Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.
• Authors of publication: Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8633 - 8646
• a: 23.3663 ± 0.0014 Å
• b: 15.2047 ± 0.001 Å
• c: 34.53 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12267.7 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No