Information card for entry 7223417

Structure parameters

• Formula: C16 H13 N
• Calculated formula: C16 H13 N
• SMILES: n1c2ccccc2c(c2ccccc2)c(c1)C
• Title of publication: Copper Promoted Synthesis of Substituted Quinolines from Benzylic Azides and Alkynes
• Authors of publication: Luo, Ching-Zong; Parthasarathy, Gandeepan; Wu, Yun-Ching; Chen, Wei-Chen; Cheng, Chien Hong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.8347 ± 0.0005 Å
• b: 8.6813 ± 0.0005 Å
• c: 9.1755 ± 0.0008 Å
• α: 82.727 ± 0.003°
• β: 73.371 ± 0.003°
• γ: 78.005 ± 0.002°
• Cell volume: 583.42 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No