Information card for entry 7221740

Structure parameters

• Formula: C19 H18 N O2.5
• Calculated formula: C19 H18 N O2.5
• SMILES: O.c1(c2cc(ccc2c(=O)n2CCCc12)OC)c1ccccc1
• Title of publication: Microwave-assisted, ruthenium-catalyzed intramolecular amide-alkyne annulation for the rapid synthesis of fused tricyclic isoquinolinones
• Authors of publication: Basireddy, Venkata Subba Reddy; Swamy, T.; Maheshwar Rao, B.; Yadav, Jhillu S.; Ravinder, Vadde; Balasubramanian, Sridhar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.3475 ± 0.0011 Å
• b: 11.0883 ± 0.0011 Å
• c: 20.423 ± 0.002 Å
• α: 90°
• β: 107.064 ± 0.002°
• γ: 90°
• Cell volume: 3106.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No