Information card for entry 7211771

Structure parameters

• Formula: C42 H28
• Calculated formula: C42 H28
• SMILES: c12c(c3c(c(c2c(c2c(c1c1ccccc1)cccc2)c1ccccc1)c1ccccc1)cccc3)c1ccccc1
• Title of publication: Rubrene micro-crystals from solution routes: their crystallography, morphology and optical properties
• Authors of publication: Huang, Liwei; Liao, Qing; Shi, Qiang; Fu, Hongbing; Ma, Jinshi; Yao, Jiannian
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 159
• a: 7.0196 ± 0.0014 Å
• b: 8.5432 ± 0.0017 Å
• c: 11.948 ± 0.002 Å
• α: 93.04 ± 0.03°
• β: 105.58 ± 0.03°
• γ: 96.28 ± 0.03°
• Cell volume: 683.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No