Information card for entry 7053848

Structure parameters

• Common name: <i>N</i>,<i>N</i>-Bis(2,3,4,5,6-pentafluorophenyl)-<i>N</i>,<i>N</i>'- di(n-butyl)quinaridonediimine
• Chemical name: <i>N</i>,<i>N</i>-Bis(2,3,4,5,6-pentafluorophenyl)-<i>N</i>,<i>N</i>'- di(n-butyl)quinaridonediimine
• Formula: C40 H28 F10 N4
• Calculated formula: C40 H28 F10 N4
• SMILES: c1(c(c(c(c(c1N=C1c2c(N(c3c1cccc3)CCCC)cc1C(=Nc3c(c(c(c(c3F)F)F)F)F)c3c(N(c1c2)CCCC)cccc3)F)F)F)F)F
• Title of publication: Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines
• Authors of publication: Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 752
• a: 7.3925 ± 0.0015 Å
• b: 9.2554 ± 0.0019 Å
• c: 12.899 ± 0.003 Å
• α: 88.42 ± 0.03°
• β: 75.51 ± 0.03°
• γ: 87.38 ± 0.03°
• Cell volume: 853.5 ± 0.3 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No