Information card for entry 7233185

Structure parameters

• Formula: C18 H10 N2 S3
• Calculated formula: C18 H10 N2 S3
• SMILES: s1c2c(nc1c1sc(cc1)c1sc3ccccc3n1)cccc2
• 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: 6.985 ± 0.0001 Å
• b: 20.4992 ± 0.0005 Å
• c: 10.7665 ± 0.0003 Å
• α: 90°
• β: 99.844 ± 0.002°
• γ: 90°
• Cell volume: 1518.92 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No