Information card for entry 7058641

Structure parameters

• Formula: C27 H26 N2 O2 S
• Calculated formula: C27 H26 N2 O2 S
• Title of publication: Novel acrylamide/acrylonitrile-tethered carbazoles: synthesis, structural, biological, and density functional theory studies
• Authors of publication: Padmavathy, Krishnaraj; Krishnan, Kannan Gokula; Kumar, Chandran Udhaya; Sathiyaraj, Ethiraj; Sivaramakarthikeyan, Ramar; Lim, Wei-Meng; Mai, Chun-Wai; Ramalingan, Chennan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13418
• a: 7.5621 ± 0.0005 Å
• b: 19.4912 ± 0.0015 Å
• c: 16.1178 ± 0.0012 Å
• α: 90°
• β: 98.666 ± 0.003°
• γ: 90°
• Cell volume: 2348.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.146
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1596
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No