Information card for entry 7239577

Structure parameters

• Formula: C26 H33 N O5
• Calculated formula: C26 H33 N O5
• Title of publication: A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells
• Authors of publication: Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 4055
• a: 12.7035 ± 0.0009 Å
• b: 18.2291 ± 0.0013 Å
• c: 11.1693 ± 0.0008 Å
• α: 90°
• β: 111.529 ± 0.002°
• γ: 90°
• Cell volume: 2406.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No