Information card for entry 7225220

Structure parameters

• Formula: C30 H20 Cl N3 O2
• Calculated formula: C30 H20 Cl N3 O2
• SMILES: Clc1ccc(C2Nc3ccccc3c3nc4c(c(c23)/C=C/c2cccc(N(=O)=O)c2)cccc4)cc1
• 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: 9.823 ± 0.003 Å
• b: 10.668 ± 0.002 Å
• c: 11.585 ± 0.003 Å
• α: 95.708 ± 0.003°
• β: 105.487 ± 0.005°
• γ: 94.881 ± 0.003°
• Cell volume: 1156.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No