Information card for entry 1518287

Structure parameters

• Formula: C32 H27 N O
• Calculated formula: C32 H27 N O
• SMILES: c1(C(=C\C(=C)c2ccccc2)\c2c(n(c3c2cccc3)C)c2ccccc2)ccc(OC)cc1
• Title of publication: Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.
• Authors of publication: Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6060
• a: 12.1929 ± 0.0009 Å
• b: 8.855 ± 0.0007 Å
• c: 22.6406 ± 0.0017 Å
• α: 90°
• β: 93.615 ± 0.001°
• γ: 90°
• Cell volume: 2439.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No