Information card for entry 7053845

Structure parameters

• Common name: <i>N</i>,<i>N</i>-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-di(n-butyl) quinaridonediimine
• Chemical name: <i>N</i>,<i>N</i>-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-di(n-butyl) quinaridonediimine
• Formula: C40 H36 F2 N4
• Calculated formula: C40 H36 F2 N4
• SMILES: Fc1ccc(N=C2c3ccccc3N(c3c2cc2c(C(c4ccccc4N2CCCC)=Nc2ccc(F)cc2)c3)CCCC)cc1
• 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: 7.1105 ± 0.0014 Å
• b: 9.868 ± 0.002 Å
• c: 12.576 ± 0.003 Å
• α: 73.23 ± 0.03°
• β: 78.56 ± 0.03°
• γ: 70.79 ± 0.03°
• Cell volume: 792.6 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No