Information card for entry 4512580

Structure parameters

• Formula: C41 H36 N2 O3 S2
• Calculated formula: C41 H36 N2 O3 S2
• SMILES: c1cccc2c1N(c1c(cccc1)S2)c1cc2C(c3cc(ccc3c2cc1)c1ccc(cc1)/C=C(/C(=O)O)C#N)(CC)CC.CS(C)=O
• Title of publication: Fluorene-based sensitizers with a phenothiazine donor: effect of mode of donor tethering on the performance of dye-sensitized solar cells.
• Authors of publication: Baheti, Abhishek; Justin Thomas, K. R.; Li, Chun-Ting; Lee, Chuan-Pei; Ho, Kuo-Chuan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2249 - 2262
• a: 9.4861 ± 0.0015 Å
• b: 13.822 ± 0.002 Å
• c: 14.253 ± 0.003 Å
• α: 100.383 ± 0.007°
• β: 90.419 ± 0.008°
• γ: 107.068 ± 0.006°
• Cell volume: 1753.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2062
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No