Information card for entry 1516707

Structure parameters

• Formula: C30 H21 N
• Calculated formula: C30 H21 N
• SMILES: [nH]1c2c(c(cc(c2c2ccccc12)c1ccccc1)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: 11.0471 ± 0.0014 Å
• b: 12.0602 ± 0.0015 Å
• c: 16.587 ± 0.002 Å
• α: 79.775 ± 0.002°
• β: 77.726 ± 0.002°
• γ: 86.565 ± 0.002°
• Cell volume: 2124.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No