Information card for entry 7115593

Structure parameters

• Chemical name: 4-methyl-N-(4-oxospiro[cyclohexa[2,5]diene-1,1'-inden]-2'-yl)-N-phenylbenzenesulfonamide
• Formula: C27 H21 N O3 S
• Calculated formula: C27 H21 N O3 S
• SMILES: S(=O)(=O)(N(C1=Cc2ccccc2C21C=CC(=O)C=C2)c1ccccc1)c1ccc(cc1)C
• Title of publication: Gold-catalyzed intermolecular oxidation of o-alkynylbiaryls: an easy and practical access to functionalized fluorenes
• Authors of publication: Fei Pan; Shuang Liu; Chao Shu; Rong-Kun Lin; Yong-Fei Yu; Jin-Mei Zhou; Long-Wu Ye
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10726
• a: 26.342 ± 0.005 Å
• b: 19.322 ± 0.004 Å
• c: 18.311 ± 0.004 Å
• α: 90°
• β: 110.59 ± 0.03°
• γ: 90°
• Cell volume: 8725 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No