Information card for entry 1517356

Structure parameters

• Formula: C26 H16 S2
• Calculated formula: C26 H15.5 S2
• Title of publication: Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity
• Authors of publication: Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 4483
• a: 10.961 ± 0.0012 Å
• b: 23.617 ± 0.003 Å
• c: 14.6288 ± 0.0016 Å
• α: 90°
• β: 97.762 ± 0.002°
• γ: 90°
• Cell volume: 3752.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No