Information card for entry 7228158

Structure parameters

• Formula: C16 H14 N2
• Calculated formula: C16 H14 N2
• SMILES: n1cccc2cc(ccc12)Cc1ccc(cc1)N
• Title of publication: Continuous niobium phosphate catalysed Skraup reaction for quinoline synthesis from solketal
• Authors of publication: Jin, Jing; Guidi, Sandro; Abada, Zahra; Amara, Zacharias; Selva, Maurizio; George, Michael W.; Poliakoff, Martyn
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 10.0024 ± 0.0009 Å
• b: 6.9487 ± 0.0007 Å
• c: 17.5896 ± 0.0015 Å
• α: 90°
• β: 98.794 ± 0.009°
• γ: 90°
• Cell volume: 1208.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No