Information card for entry 2005908

Structure parameters

• Common name: wwanthra
• Chemical name: 9,10-bis[2-ethynyl(4-N,N-diphenylamino)phenyl]anthracene
• Formula: C54 H36 N2
• Calculated formula: C54 H36 N2
• SMILES: c1ccc2c(c1)c(C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1)c1c(c2C#Cc2ccc(cc2)N(c2ccccc2)c2ccccc2)cccc1
• Title of publication: 9,10-Bis{2-[4-(<i>N</i>,<i>N</i>-diphenylamino)phenyl]ethynyl}anthracene
• Authors of publication: Venkataraman, D.; Wang, P.-W.; Moore, J. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 241 - 243
• a: 11.582 ± 0.002 Å
• b: 9.407 ± 0.002 Å
• c: 18.429 ± 0.004 Å
• α: 90°
• β: 108.14 ± 0.02°
• γ: 90°
• Cell volume: 1908.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.1057
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No