Information card for entry 7200964

Structure parameters

• Formula: C42 H28 Cl2 F5 N3 O2
• Calculated formula: C42 H28 Cl2 F5 N3 O2
• SMILES: ClCCl.Fc1c(CN2C(=O)C(=C(C2=O)c2cn(c3ccccc23)Cc2ccccc2)c2cn(c3ccccc23)Cc2ccccc2)c(F)c(F)c(F)c1F
• Title of publication: White light-emitting devices with a single emitting layer based on bisindolylmaleimide fluorophores
• Authors of publication: Lin, Zhenghuan; Wen, Yuh-Sheng; Chow, Tahsin J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 29
• Pages of publication: 5141
• a: 20.2844 ± 0.0014 Å
• b: 8.0018 ± 0.0006 Å
• c: 22.3701 ± 0.0015 Å
• α: 90°
• β: 100.289 ± 0.003°
• γ: 90°
• Cell volume: 3572.5 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1707
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No