Information card for entry 7250129

Structure parameters

• Formula: C41 H28 O3
• Calculated formula: C41 H28 O3
• Title of publication: Aldehyde-based triphenylethylene organic crystals for aniline vapour detection
• Authors of publication: Shehayeb, Elissa O.; Assoud, Abdeljalil; Au, Vonika Ka-Man
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 2470 - 2476
• a: 7.9903 ± 0.0004 Å
• b: 11.0983 ± 0.0004 Å
• c: 18.2204 ± 0.0009 Å
• α: 92.71 ± 0.004°
• β: 99.636 ± 0.004°
• γ: 103.104 ± 0.004°
• Cell volume: 1545.36 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No