Information card for entry 4500472

Structure parameters

• Chemical name: 2,2'-((9,9-butyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole
• Formula: C188 H140 N8 S8
• Calculated formula: C188 H140 N8 S8
• Title of publication: Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains
• Authors of publication: Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1615
• a: 9.5194 ± 0.0007 Å
• b: 13.0361 ± 0.0009 Å
• c: 31.562 ± 0.002 Å
• α: 80.674 ± 0.006°
• β: 85.783 ± 0.005°
• γ: 68.813 ± 0.006°
• Cell volume: 3603.2 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.2699
• Residual factor for significantly intense reflections: 0.1691
• Weighted residual factors for significantly intense reflections: 0.4088
• Weighted residual factors for all reflections included in the refinement: 0.4643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No