Information card for entry 1558677

Structure parameters

• Formula: C31 H30
• Calculated formula: C31 H30
• SMILES: c12c(ccc(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1)c1c(cc(cc1C)C)C)C2
• Title of publication: Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water
• Authors of publication: Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 8.5024 ± 0.0008 Å
• b: 11.1377 ± 0.001 Å
• c: 26.18 ± 0.002 Å
• α: 83.462 ± 0.007°
• β: 84.924 ± 0.007°
• γ: 89.341 ± 0.007°
• Cell volume: 2453.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No