Information card for entry 7233184

Structure parameters

• Formula: C30 H18 N2 O S2
• Calculated formula: C30 H18 N2 O S2
• Title of publication: Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene
• Authors of publication: Brodie L. Reid; Steven B. Briggs; Louise E. Karagiannidis; Sara Muzzioli; Paolo Raiteri; Mark E. Light; Stefano Stagni; Pierpaolo Brulatti; Philip A. Gale; Mark I. Ogdena; Massimiliano Massi
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 2209 - 2216
• a: 26.3406 ± 0.0014 Å
• b: 9.3058 ± 0.0005 Å
• c: 19.5502 ± 0.0009 Å
• α: 90°
• β: 105.696 ± 0.003°
• γ: 90°
• Cell volume: 4613.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.196
• Residual factor for significantly intense reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No