Information card for entry 7220199

Structure parameters

• Formula: C15 H11 N5 O2
• Calculated formula: C15 H11 N5 O2
• SMILES: n1c2n(cc(cc2)C#N)c2nc(N)c3c(c12)cccc3.O.O
• Title of publication: Metal free direct formation of various substituted pyrido[2′,1′:2,3]imidazo[4,5-c]isoquinolin-5-amines and their further functionalization
• Authors of publication: Tber, Z.; Hiebel, M.-A.; Allouchi, H.; El Hakmaoui, A.; Akssira, M.; Guillaumet, G.; Berteina-Raboin, S.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 44
• Pages of publication: 35201
• a: 6.852 ± 0.001 Å
• b: 9.607 ± 0.005 Å
• c: 10.857 ± 0.007 Å
• α: 102.68 ± 0.04°
• β: 93.21 ± 0.03°
• γ: 92.5 ± 0.03°
• Cell volume: 695 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2353
• Residual factor for significantly intense reflections: 0.1313
• Weighted residual factors for significantly intense reflections: 0.3112
• Weighted residual factors for all reflections included in the refinement: 0.3824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No