Information card for entry 1512193

Structure parameters

• Chemical name: 9-(benzenesulfonyl)-2-(4-chloro-2-nitrophenyl)-4-hydroxy-9H-carbazole-3-carbaldehyde
• Formula: C25 H15 Cl N2 O6 S
• Calculated formula: C25 H15 Cl N2 O6 S
• SMILES: c12ccccc1c1c(cc(c(c1O)C=O)c1ccc(cc1N(=O)=O)Cl)n2S(=O)(=O)c1ccccc1
• Title of publication: Synthesis of Calothrixins and Its Analogs Using FeCl3-Mediated Domino Reaction Protocol
• Authors of publication: Ramalingam, Bose Muthu; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 3726
• a: 8.1947 ± 0.0015 Å
• b: 14.384 ± 0.003 Å
• c: 18.795 ± 0.003 Å
• α: 90°
• β: 90.963 ± 0.009°
• γ: 90°
• Cell volume: 2215.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No