Information card for entry 7208410

Structure parameters

• Formula: C34 H28 Cl6 N2 O5
• Calculated formula: C34 H28 Cl6 N2 O5
• SMILES: C(Cl)(Cl)Cl.c1ccc2c(c1)nc1c(c3ccccc3c3c1C(C1=C(CCCC1=O)O3)c1cc(c(c(c1)OC)OC)OC)n2.C(Cl)(Cl)Cl
• Title of publication: An expedient four-component domino protocol for the synthesis of novel benzo[a]phenazine annulated heterocycles and their photophysical studies
• Authors of publication: Khurana, Jitender M.; Chaudhary, Ankita; Lumb, Anshika; Nand, Bhaskara
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2321
• a: 11.373 ± 0.002 Å
• b: 11.8524 ± 0.0015 Å
• c: 13.975 ± 0.002 Å
• α: 95.484 ± 0.012°
• β: 112.666 ± 0.017°
• γ: 91.976 ± 0.013°
• Cell volume: 1725.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1296
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No