Information card for entry 7235853

Structure parameters

• Formula: C37 H52 N4 O4
• Calculated formula: C37 H52 N4 O4
• Title of publication: Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?
• Authors of publication: Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2883
• a: 8.358 ± 0.003 Å
• b: 10.369 ± 0.004 Å
• c: 22.108 ± 0.008 Å
• α: 98.94 ± 0.006°
• β: 91.829 ± 0.005°
• γ: 111.105 ± 0.007°
• Cell volume: 1757.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.3289
• Weighted residual factors for all reflections included in the refinement: 0.3751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No