Information card for entry 4509792

Structure parameters

• Formula: C41 H27 Cl3 N4
• Calculated formula: C41 H27 Cl3 N4
• SMILES: c1(c2ccccc2cc2ccccc12)c1ccn(c2ccc(cc2)n2c(ccn2)c2c3ccccc3cc3ccccc23)n1.C(Cl)(Cl)Cl
• 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: 9.1631 ± 0.0018 Å
• b: 12.736 ± 0.003 Å
• c: 15.435 ± 0.003 Å
• α: 69.66 ± 0.03°
• β: 80.71 ± 0.03°
• γ: 89.83 ± 0.03°
• Cell volume: 1664.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1131
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No