Information card for entry 1518289

Structure parameters

• Formula: C32 H27 N
• Calculated formula: C32 H27 N
• SMILES: c12c(C(=CC1(c1ccccc1)C)c1c(n(c3c1cccc3)C)c1ccccc1)ccc(c2)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: 14.348 ± 0.0014 Å
• b: 16.969 ± 0.002 Å
• c: 19.737 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4805.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1746
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No