Information card for entry 7237339

Structure parameters

• Formula: C30 H32 N2 O2 S4
• Calculated formula: C30 H32 N2 O2 S4
• Title of publication: Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains
• Authors of publication: Genevaz, Nicolas; Chávez, Patricia; Untilova, Viktoriia; Boeglin, Alex; Bailly, Corinne; Karmazin, Lydia; Biniek, Laure
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 34
• Pages of publication: 9140
• a: 4.8832 ± 0.0003 Å
• b: 10.2613 ± 0.0006 Å
• c: 14.188 ± 0.0009 Å
• α: 106.954 ± 0.005°
• β: 94.112 ± 0.004°
• γ: 97.995 ± 0.005°
• Cell volume: 668.68 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No