Information card for entry 7225219

Structure parameters

• Formula: C30 H16 Cl4 N2
• Calculated formula: C30 H16 Cl4 N2
• SMILES: Clc1c(/C=C/c2c3c(nc4c2c(nc2ccccc42)c2ccc(Cl)cc2Cl)cccc3)ccc(Cl)c1
• Title of publication: p-TsOH-promoted synthesis of (E)-6-phenyl-7-styryl-5,6-dihydrodibenzo[b,h][1,6]naphthyridines via cascade intramolecular aza-Michael addition/Friedlander condensation of 2'-aminochalcones in a SDS/H2O system
• Authors of publication: Ravi, Makthala; Chauhan, Parul; Singh, Shikha; Kant, Ruchir; Yadav, Prem Prakash
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.336 ± 0.002 Å
• b: 9.118 ± 0.003 Å
• c: 17.445 ± 0.005 Å
• α: 103.692 ± 0.017°
• β: 93.563 ± 0.017°
• γ: 107.081 ± 0.014°
• Cell volume: 1219 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No