Information card for entry 7116417

Structure parameters

• Formula: C26 H17 N
• Calculated formula: C26 H17 N
• SMILES: c1cccc2c3c(c4ccccn4c3ccc12)c1c2ccccc2ccc1
• Title of publication: An efficient synthesis of pyrido[1,2-a]indoles through aza-Nazarov type cyclization
• Authors of publication: Iyyanar Karthikeyan; Dhanarajan Arunprasath; Govindasamy Sekar
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1701
• a: 13.6965 ± 0.0004 Å
• b: 7.3314 ± 0.0002 Å
• c: 18.6691 ± 0.0006 Å
• α: 90°
• β: 103.364 ± 0.0017°
• γ: 90°
• Cell volume: 1823.89 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No