Information card for entry 2010042

Structure parameters

• Formula: C25 H17 N
• Calculated formula: C25 H17 N
• SMILES: N#Cc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,4,6-Triphenylcyanobenzene and 2,4,6-triphenylnitrobenzene
• Authors of publication: Anulewicz, R.; Pniewska, B.; Milart, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1516 - 1519
• a: 4.096 ± 0.002 Å
• b: 11.558 ± 0.005 Å
• c: 37.25 ± 0.015 Å
• α: 90°
• β: 99.15 ± 0.03°
• γ: 90°
• Cell volume: 1741 ± 1.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0577
• Goodness-of-fit parameter for significantly intense reflections: 3.488
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No