Information card for entry 4517875

Structure parameters

• Chemical name: 4,4',4'',4'''-(5,5-dimethoxycyclopenta-1,3-diene-1,2,3,4-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)
• Formula: C88 H79 Cl3 N4 O10
• Calculated formula: C88 H79 Cl3 N4 O10
• Title of publication: Cyclopentadithiophene-Based Hole-Transporting Material for Highly Stable Perovskite Solar Cells with Stabilized Efficiencies Approaching 21%
• Authors of publication: Akin, Seckin; Bauer, Michael; Uchida, Ryusuke; Arora, Neha; Jacopin, Gwenole; Liu, Yuhang; Hertel, Dirk; Meerholz, Klaus; Mena-Osteritz, Elena; Bäuerle, Peter; Zakeeruddin, Shaik Mohammed; Dar, M. Ibrahim; Grätzel, Michael
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2020
• a: 10.8185 ± 0.0002 Å
• b: 16.2139 ± 0.0005 Å
• c: 22.5926 ± 0.0006 Å
• α: 107.709 ± 0.003°
• β: 95.3396 ± 0.0019°
• γ: 90.349 ± 0.002°
• Cell volume: 3756.32 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0655
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No