Information card for entry 7236479

Structure parameters

• Common name: 9-phenanthrenyl-1,2,3,5-dithiadiazolyl
• Formula: C15 H9 N2 S2
• Calculated formula: C15 H9 N2 S2
• Title of publication: A fluorescent dithiadiazolyl radical: structure and optical properties of phenanthrenyl dithiadiazolyl in solution and polymer composites
• Authors of publication: Beldjoudi, Yassine; Osorio-Román, Igor; Nascimento, Mitchell A.; Rawson, Jeremy M.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 2794
• a: 7.5618 ± 0.0009 Å
• b: 9.5721 ± 0.0011 Å
• c: 32.633 ± 0.004 Å
• α: 90°
• β: 92.446 ± 0.003°
• γ: 90°
• Cell volume: 2359.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No