Information card for entry 2005546

Structure parameters

• Chemical name: 2,4,6-triphenyl pyran-3,5-dicarboxaldehyde
• Formula: C25 H18 O3
• Calculated formula: C25 H18 O3
• SMILES: O=CC1=C(OC(=C(C1c1ccccc1)C=O)c1ccccc1)c1ccccc1
• Title of publication: 2,4,6-Triphenyl-4<i>H</i>-pyran-3,5-dicarboxaldehyde
• Authors of publication: Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2599 - 2601
• a: 10.566 ± 0.001 Å
• b: 7.88 ± 0.001 Å
• c: 11.572 ± 0.001 Å
• α: 90°
• β: 99.18 ± 0.01°
• γ: 90°
• Cell volume: 951.15 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0446
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No