Information card for entry 1549906

Structure parameters

• Chemical name: 6aF-Me2
• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• SMILES: n1(c2ccccc2c2c1cc(c1n(ccc21)C)c1ccccc1)C
• Title of publication: Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.
• Authors of publication: Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 44
• Pages of publication: 8416 - 8425
• a: 7.652 ± 0.009 Å
• b: 14.111 ± 0.019 Å
• c: 15.379 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1661 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No