Information card for entry 7223074

Structure parameters

• Chemical name: 1:2 salt of 2-(4-bromophenyl)-4-imino-4,1b-dihydro-1H-pyrido[2,1-a]isoquinoline-3-carbonitrile and trifluoroacetic acid
• Formula: C24 H14 Br F6 N3 O4
• Calculated formula: C24 H14 Br F6 N3 O4
• Title of publication: A domino green method for the rapid synthesis of novel fused isoquinoline derivatives via Knoevenagel/Michael/cyclisation reactions on aqueous media and their photophysical properties
• Authors of publication: Meshram, Harshadas Mitaram; N, satish kumar; L, Chandrasekhara Rao; Nanubolu, Jagadeesh Babu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.821 ± 0.0007 Å
• b: 15.072 ± 0.0009 Å
• c: 14.4847 ± 0.0009 Å
• α: 90°
• β: 109.61 ± 0.001°
• γ: 90°
• Cell volume: 2431 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No