Information card for entry 1543822

Structure parameters

• Formula: C16 H15 N
• Calculated formula: C16 H15 N
• SMILES: c1ccccc1c1c(c2ccccc2n1C)C
• Title of publication: A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.
• Authors of publication: Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2427 - 2430
• a: 12.08 ± 0.002 Å
• b: 8.276 ± 0.0017 Å
• c: 12.564 ± 0.003 Å
• α: 90°
• β: 90.03 ± 0.03°
• γ: 90°
• Cell volume: 1256.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1544
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No