Information card for entry 7157224

Structure parameters

• Chemical name: 2''-bromo-4-methyl-5'-(piperidin-1-yl)-[1,1':3',1''-terphenyl]-4'-carbonitrile
• Formula: C2.5 H2.3 Br0.1 N0.2
• Calculated formula: C2.5 H2.3 Br0.1 N0.2
• Title of publication: Chemoselective synthesis of isolated and fused fluorenones and their photophysical and antiviral properties.
• Authors of publication: Althagafi, Ismail; Shaw, Ranjay; Tang, Cheng-Run; Panwar, Rahul; Shally, ?; Sinha, Chanda; Kumar, Amit; Zheng, Yong-Tang; Pratap, Ramendra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 7477 - 7487
• a: 8.4375 ± 0.0006 Å
• b: 19.2059 ± 0.0012 Å
• c: 13.8112 ± 0.001 Å
• α: 90°
• β: 105.9 ± 0.007°
• γ: 90°
• Cell volume: 2152.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No