Information card for entry 7237270

Structure parameters

• Formula: C20 H16 O
• Calculated formula: C20 H16 O
• Title of publication: Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes
• Authors of publication: Garrett, Mary Robert; Durán-Peña, María Jesús; Lewis, William; Pudzs, Kaspars; Užulis, Jānis; Mihailovs, Igors; Tyril, Björk; Shine, Jonathan; Smith, Emily F.; Rutkis, Martins; Woodward, Simon
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 3403
• a: 26.178 ± 0.006 Å
• b: 6.0436 ± 0.0009 Å
• c: 8.6187 ± 0.0014 Å
• α: 90°
• β: 94.872 ± 0.016°
• γ: 90°
• Cell volume: 1358.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.1896
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.4282
• Weighted residual factors for all reflections included in the refinement: 0.4701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.713
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No