Information card for entry 7250868

Structure parameters

• Formula: C15 H11 I O
• Calculated formula: C15 H11 I O
• Title of publication: Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems
• Authors of publication: Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 41
• Pages of publication: 6735 - 6741
• a: 6.1455 ± 0.0002 Å
• b: 7.4012 ± 0.0003 Å
• c: 28.5289 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1297.61 ± 0.08 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No