Information card for entry 7157349

Structure parameters

• Formula: C16 H21 N
• Calculated formula: C16 H21 N
• SMILES: n1c(c(cc2c1cc(c(c2)C)C)CC)CCC
• Title of publication: Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines.
• Authors of publication: Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1785 - 1793
• a: 7.4928 ± 0.0007 Å
• b: 8.7755 ± 0.0011 Å
• c: 11.1633 ± 0.0011 Å
• α: 84.247 ± 0.009°
• β: 78.666 ± 0.008°
• γ: 76.675 ± 0.01°
• Cell volume: 699.17 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1153
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No