Information card for entry 4037168

Structure parameters

• Formula: C27 H18 N2 O4 S2
• Calculated formula: C27 H18 N2 O4 S2
• SMILES: c12ccccc1c1c(cc3c(c1c1ccc(cc1)N(=O)=O)cc(C)s3)n2S(=O)(=O)c1ccccc1
• 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: 12.5052 ± 0.0008 Å
• b: 11.2594 ± 0.0006 Å
• c: 17.0731 ± 0.0009 Å
• α: 90°
• β: 102.914 ± 0.002°
• γ: 90°
• Cell volume: 2343.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No