Information card for entry 7155374

Structure parameters

• Formula: C25 H25 N3
• Calculated formula: C25 H25 N3
• SMILES: c12ccccc1nc1c3c4ccccc4n(C)c3c(cc1n2)CCCCCC
• Title of publication: Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.
• Authors of publication: Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 82 - 87
• a: 8.4926 ± 0.0002 Å
• b: 7.9538 ± 0.0002 Å
• c: 28.9887 ± 0.0007 Å
• α: 90°
• β: 91.1 ± 0.001°
• γ: 90°
• Cell volume: 1957.78 ± 0.08 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: 0.0658
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No