Information card for entry 4509793

Structure parameters

• Formula: C44 H34 N4 O
• Calculated formula: C44 H34 N4 O
• SMILES: c1(c2ccccc2cc2ccccc12)c1ccn(c2ccc(cc2)n2c(ccn2)c2c3ccccc3cc3ccccc23)n1.C1CCCO1
• 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: 8.1413 ± 0.0016 Å
• b: 11.386 ± 0.002 Å
• c: 18.937 ± 0.004 Å
• α: 88.88 ± 0.03°
• β: 82.45 ± 0.03°
• γ: 75.81 ± 0.03°
• Cell volume: 1686.9 ± 0.6 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: 0.1341
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No