Information card for entry 7032573

Structure parameters

• Formula: C29 H23 N3 O3 S
• Calculated formula: C29 H23 N3 O3 S
• SMILES: C(=O)(/C(=C/c1ccc(c2ccc3c(c2)c2c(cccc2)n3c2ccccc2)s1)C#N)O.C(=O)N(C)C
• Title of publication: A distinguishable photovoltaic performance on dye-sensitized solar cells using ruthenium sensitizers with a pair of isomeric ancillary ligands.
• Authors of publication: Ma, Bin-Bin; Peng, Yu-Xin; Tao, Tao; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16601 - 16604
• a: 9.09 ± 0.005 Å
• b: 9.383 ± 0.005 Å
• c: 15.108 ± 0.008 Å
• α: 79.476 ± 0.009°
• β: 81.97 ± 0.008°
• γ: 81.163 ± 0.009°
• Cell volume: 1243.6 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No