Information card for entry 7124510

Structure parameters

• Common name: Compound-3
• Formula: C33 H32 O4
• Calculated formula: C33 H32 O4
• Title of publication: Hydrophobicity and CH/π-interaction-driven self-assembly of amphiphilic aromatic hydrocarbons into nanosheets
• Authors of publication: Nishikawa, Tsuyoshi; Narita, Hiroki; Ogi, Soichiro; Sato, Yoshikatsu; Yamaguchi, Shigehiro
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.6509 ± 0.001 Å
• b: 16.0605 ± 0.0017 Å
• c: 18.319 ± 0.002 Å
• α: 85.627 ± 0.004°
• β: 76.636 ± 0.003°
• γ: 75.927 ± 0.004°
• Cell volume: 2679 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No