Information card for entry 1516708

Structure parameters

• Formula: C31 H23 N O
• Calculated formula: C31 H23 N O
• SMILES: c12ccccc1c1c(cc(c(c1[nH]2)c1ccc(cc1)OC)c1ccccc1)c1ccccc1
• Title of publication: Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.
• Authors of publication: Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3592 - 3595
• a: 10.6667 ± 0.0017 Å
• b: 12.2374 ± 0.0019 Å
• c: 18.702 ± 0.003 Å
• α: 73.907 ± 0.002°
• β: 82.088 ± 0.002°
• γ: 76.905 ± 0.002°
• Cell volume: 2277.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No