Information card for entry 4509848

Structure parameters

• Formula: C33 H26 N2 O S
• Calculated formula: C33 H26 N2 O S
• SMILES: c1cccc2c3ccccc3n(c12)c1ccc2c3ccc(cc3n(c2c1)CCCC)c1ccc(C=O)s1
• Title of publication: Organic Dyes Containing Carbazole as Donor and π-Linker: Optical, Electrochemical, and Photovoltaic Properties.
• Authors of publication: Venkateswararao, A.; Thomas, K. R. Justin; Lee, Chuan-Pei; Li, Chun-Ting; Ho, Kuo-Chuan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2528 - 2539
• a: 16.9193 ± 0.0008 Å
• b: 10.2687 ± 0.0005 Å
• c: 14.6199 ± 0.0006 Å
• α: 90°
• β: 90.055 ± 0.002°
• γ: 90°
• Cell volume: 2540 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No