Information card for entry 4509790

Structure parameters

• Formula: C42 H30 N4
• Calculated formula: C42 H30 N4
• SMILES: c1(c2c(cc3c1cccc3)cccc2)c1ccn(Cc2ccc(Cn3c(c4c5c(cc6c4cccc6)cccc5)ccn3)cc2)n1
• Title of publication: Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives
• Authors of publication: Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5069
• a: 8.5299 ± 0.0017 Å
• b: 12.081 ± 0.002 Å
• c: 17.033 ± 0.003 Å
• α: 107.44 ± 0.03°
• β: 95.75 ± 0.03°
• γ: 92.3 ± 0.03°
• Cell volume: 1661.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No