Information card for entry 1547766

Structure parameters

• Formula: C24 H20 Cl0 N2 O5 S
• Calculated formula: C24 H20 N2 O5 S
• SMILES: S(=O)(=O)(N/C(=C\1Nc2c(C1=O)cccc2)C(=O)c1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids.
• Authors of publication: Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5764 - 5767
• a: 11.3088 ± 0.0007 Å
• b: 13.4942 ± 0.0007 Å
• c: 27.4368 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4186.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No