Information card for entry 7217730

Structure parameters

• Formula: C58 H58 N4 O4
• Calculated formula: C58 H58 N4 O4
• SMILES: CC(C)Cc1cc(cc(n1)c1cc(cc(CC(C)C)n1)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
• Title of publication: Factors controlling the photoresponse of copper(i) diimine dyes containing hole-transporting dendrons in dye-sensitized solar cells: substituent and solvent effects
• Authors of publication: Brauchli, Sven Y.; Bozic-Weber, Biljana; Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 66
• Pages of publication: 34801
• a: 9.998 ± 0.0004 Å
• b: 11.2625 ± 0.0004 Å
• c: 11.6848 ± 0.0005 Å
• α: 64.985 ± 0.001°
• β: 80.227 ± 0.002°
• γ: 89.948 ± 0.002°
• Cell volume: 1171.31 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No