Information card for entry 7233679

Structure parameters

• Formula: C26 H32 N2 O2 S2
• Calculated formula: C26 H32 N2 O2 S2
• Title of publication: Photophysical, electrochemical and solid state properties of diketopyrrolopyrrole based molecular materials: importance of the donor group
• Authors of publication: Joydeep Dhar; N. Venkatramaiah; Anitha A.; Satish Patil
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 3457 - 3466
• a: 14.682 ± 0.004 Å
• b: 5.3913 ± 0.0013 Å
• c: 15.704 ± 0.004 Å
• α: 90°
• β: 97.355 ± 0.004°
• γ: 90°
• Cell volume: 1232.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No