Information card for entry 7125278

Structure parameters

• Chemical name: 5-(dicyclohexylamino)-2,9-difluoro-6a-phenyl-6a,7-dihydro- 5H-dibenzo[c,g]chromen-7-yl)(phenyl)methanone
• Formula: C42.5 H42 Cl F2 N O2
• Calculated formula: C42.5 H42 Cl F2 N O2
• 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: 11.0496 ± 0.0007 Å
• b: 12.2287 ± 0.0008 Å
• c: 14.2619 ± 0.001 Å
• α: 64.774 ± 0.001°
• β: 82.424 ± 0.001°
• γ: 88.269 ± 0.001°
• Cell volume: 1727.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No