Information card for entry 7119490

Structure parameters

• Formula: C32 H27 Cl3 N2 O3 P S
• Calculated formula: C32 H27 Cl3 N2 O3 P S
• SMILES: S1(=O)(=O)N(c2cccc3c2nccc3)C(=Cc2cc(C)ccc12)CP(=O)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Cobalt-catalyzed aryl C-H activation and highly regioselective intermolecular annulation of sulfonamides with allenes.
• Authors of publication: Thrimurtulu, Neetipalli; Nallagonda, Rajender; Volla, Chandra M. R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1872 - 1875
• a: 9.6757 ± 0.0003 Å
• b: 24.7111 ± 0.0007 Å
• c: 12.3147 ± 0.0004 Å
• α: 90°
• β: 93.511 ± 0.003°
• γ: 90°
• Cell volume: 2938.88 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No