Information card for entry 7234524

Structure parameters

• Formula: C56 H63 O4.5
• Calculated formula: C52 H50 O2
• SMILES: c12c3cccc1cccc2c1c3c(c(c(c1c1ccccc1)c1ccc(cc1)OCCCCCC)c1ccc(cc1)OCCCCCC)c1ccccc1
• Title of publication: Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes
• Authors of publication: Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 193 - 200
• a: 12.5215 ± 0.0016 Å
• b: 24.786 ± 0.003 Å
• c: 15.897 ± 0.002 Å
• α: 90°
• β: 108.858 ± 0.003°
• γ: 90°
• Cell volume: 4668.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.247
• Residual factor for significantly intense reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.3497
• Weighted residual factors for all reflections included in the refinement: 0.4037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No