Information card for entry 7125276

Structure parameters

• Chemical name: 5-(dicyclohexylamino)-6a-(4-(methylthio)phenyl)-6a,7-dihydro-5H-dibenzo[c,g]chromen-7-yl)(4-(methylthio)phenyl)methanone
• Formula: C47 H54 N O2 S2
• Calculated formula: C47 H54 N O2 S2
• Title of publication: Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.
• Authors of publication: Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 98
• Pages of publication: 14133 - 14136
• a: 16.9652 ± 0.0011 Å
• b: 13.3015 ± 0.0008 Å
• c: 18.3142 ± 0.0011 Å
• α: 90°
• β: 108.16 ± 0.001°
• γ: 90°
• Cell volume: 3927 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No