Information card for entry 7124323

Structure parameters

• Chemical name: (E)-9-methyl-4-(oct-4-en-4-yl)-2-tosyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• Formula: C27 H34 N2 O2 S
• Calculated formula: C27 H34 N2 O2 S
• Title of publication: Divergent Gold-catalyzed Reactions of Cyclopropenylmethyl Sulfonamides with Tethered Heteroaromatics
• Authors of publication: Drew, Melanie; Arndt, Sebastian; Richardson, Christopher; Rudolph, Matthias; Hashmi, Stephen; Hyland, Christopher James Timothy
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9109 ± 0.0004 Å
• b: 13.3891 ± 0.0006 Å
• c: 14.4067 ± 0.0009 Å
• α: 71.699 ± 0.005°
• β: 75.057 ± 0.005°
• γ: 78.424 ± 0.004°
• Cell volume: 1387.81 ± 0.14 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No