Information card for entry 1518288

Structure parameters

• Formula: C32 H25 N O
• Calculated formula: C32 H25 N O
• SMILES: n1(c2c(c3c(c1c1ccccc1)c(c1ccccc1)cc3c1ccc(OC)cc1)cccc2)C
• 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: 11.424 ± 0.0016 Å
• b: 9.4223 ± 0.001 Å
• c: 21.475 ± 0.003 Å
• α: 90°
• β: 99.68 ± 0.013°
• γ: 90°
• Cell volume: 2278.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No