Information card for entry 7135469

Structure parameters

• Formula: C29 H23 O3 P
• Calculated formula: C29 H23 O3 P
• Title of publication: Make the ylides shine: synthesis and structure-property relationships of phospha-squaraines.
• Authors of publication: Khantong, Adisorn; Chemin, Alexandre; Galangau, Olivier; Le Guennic, Boris; Jacquemin, Denis; Bouit, Pierre-Antoine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 24
• Pages of publication: 6563 - 6566
• a: 13.7395 ± 0.0015 Å
• b: 10.4643 ± 0.0012 Å
• c: 16.2174 ± 0.0018 Å
• α: 90°
• β: 98.524 ± 0.004°
• γ: 90°
• Cell volume: 2305.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No