Information card for entry 7223416

Structure parameters

• Formula: C25 H17 N
• Calculated formula: C25 H17 N
• SMILES: c1c(c2ccccc2)c(c2ccccc2)c2ccc3ccccc3c2n1
• 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: 8.6366 ± 0.0011 Å
• b: 9.9502 ± 0.0013 Å
• c: 11.2433 ± 0.0015 Å
• α: 101.66 ± 0.002°
• β: 94.005 ± 0.002°
• γ: 111.536 ± 0.002°
• Cell volume: 869.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No