Information card for entry 7207501

Structure parameters

• Common name: HB364
• Formula: C26 H30 N4 S
• Calculated formula: C26 H30 N4 S
• SMILES: S1C(=C/C=C2/N(CCCC)c3ccccc3C2(C)C)\C(=NC1=C(C#N)C#N)CCCC
• Title of publication: Planar, bulk and hybrid merocyanine/C60 heterojunction devices: a case study on thin film morphology and photovoltaic performance
• Authors of publication: Ojala, Antti; Bürckstümmer, Hannah; Hwang, Jaehyung; Graf, Katja; von Vacano, Bernhard; Meerholz, Klaus; Erk, Peter; Würthner, Frank
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 4473
• a: 13.0466 ± 0.0003 Å
• b: 7.5537 ± 0.0002 Å
• c: 23.8222 ± 0.0006 Å
• α: 90°
• β: 91.002 ± 0.001°
• γ: 90°
• Cell volume: 2347.32 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.035
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No