Information card for entry 7152362

Structure parameters

• Formula: C23 H19 N3 O3
• Calculated formula: C23 H19 N3 O3
• SMILES: o1c(=O)c2c(nc(nc2N)c2ccccc2)c2c1c1cc(c(cc1OCC2)C)C
• Title of publication: Sequential approach to the synthesis of 'U and Z' shaped polycyclic heteroarenes.
• Authors of publication: Maurya, Hardesh K.; Gautam, Sanjay K.; Pratap, Ramendra; Tandon, Vishnu K.; Kumar, Abhinav; Bajpai, Vikas; Kumar, Brijesh; Ram, Vishnu Ji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 25
• Pages of publication: 4977 - 4986
• a: 14.605 ± 0.004 Å
• b: 6.1389 ± 0.0017 Å
• c: 20.396 ± 0.005 Å
• α: 90°
• β: 91.627 ± 0.018°
• γ: 90°
• Cell volume: 1827.9 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No